COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF AS ENERGETIC MATERIALS

Abstract

Provided are a series of ionic compounds and a preparation method therefor and a use thereof as energetic materials.

Claims

1-15. (canceled)

16. A compound ABX.sub.3, AB′X.sub.4, or B′.sub.2A′X.sub.5, consisting of A cation or A′ cation, B cation or B′ cation, and X anion, wherein the A cation is a nitrogen-containing organic cation; the B cation is a cation; the A′ cation is a cation; the B′ cation is a saturated aliphatic diammonium cation; and the X anion is an anionic energetic ligand.

17. The compound of claim 16, wherein the compound is compound ABX.sub.3 consisting of A cation, B cation, and X anion, wherein the A cation is a nitrogen-containing organic cation; the B cation is a cation; and the X anion is an anionic energetic ligand.

18. The compound of claim 16, wherein the compound is compound AB′X.sub.4 consisting of A cation, B′ cation, and X anion or is compound B′.sub.2A′X.sub.5 consisting of A′ cation, B′ cation, and X anion, wherein the A cation is a divalent nitrogen-containing monocyclic heterocyclic cation; the A′ cation is at least one selected from a group consisting of an alkali metal ion and a monovalent nitrogen-containing cation; the B′ cation is a saturated aliphatic diammonium cation; and the X anion is an anionic energetic ligand.

19. The compound of claim 16, wherein the A cation is selected from a group consisting of organic cations of Formula (I) and derivatives thereof, ##STR00013## wherein n.sub.1, n.sub.2, n.sub.3, n.sub.4, and n.sub.5 each is a positive integer, wherein R.sub.1, R.sub.2, R.sub.3, and R.sub.4 are selected from a group consisting of hydrogen, methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, and nitro groups; the derivatives refer to the organic cationic moiety in which hydrogen atoms are substituted, simultaneously or not, with substituents, and the substituents comprise methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, or nitro, and wherein any one of n.sub.1 and n.sub.2 is greater than 2, or any one of R.sub.1 and R.sub.2 comprises at least one carbon atom.

20. The compound of claim 16, wherein the A cation is selected from a group consisting of Formula (II) and derivatives thereof, ##STR00014## wherein n.sub.1, n.sub.2, n.sub.3, n.sub.4, and n.sub.5 each is a positive integer; wherein R.sub.1, R.sub.2, R.sub.3, and R.sub.4 are selected from a group consisting of hydrogen, methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, and nitro groups; the derivatives refer to the organic cationic moiety in which hydrogen atoms are substituted, simultaneously or not, with substituents, and the substituents comprise methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, or nitro, and wherein any one of n.sub.3, n.sub.4, and n.sub.5 is greater than 2, or any one of R.sub.3 and R.sub.4 comprises at least one carbon atom.

21. The compound of claim 16, wherein the A cation is selected from a group consisting of 1-methylpiperazine-1,4-diium, 1-methyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium, and 1,4-diazepane-1,4-diium, and derivatives thereof.

22. The compound of claim 16, wherein the B cation is selected from a group consisting of potassium ion, ammonium ion, silver ion, hydroxylammonium ion, and hydrazinium ion;.

23. The compound of claim 16, wherein the A′ cation is a monovalent nitrogen-containing cation.

24. The compound of claim 23, the A′ cation has a general formula of NR.sub.3R.sub.4R.sub.5R.sub.6.sup.+, wherein R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are selected from a group consisting of hydrogen, methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, and nitro groups.

25. The compound of claim 16, wherein the B′ cation has a general formula of R.sub.2R.sub.8R.sub.9N.sup.+-(C.sub.n3H.sub.2n3)-N.sup.+R.sub.10R.sub.11R.sub.12, wherein n.sub.3 is 1, 2, 3, 4, or 5, and R.sub.7, R.sub.8, R.sub.9, R.sub.10, R.sub.11, and R.sub.12 are selected from a group consisting of hydrogen, methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, and tert-butyl.

26. The compound of claim 25, wherein in the B′ cation, n.sub.3 is 2, and/or R.sub.7, R.sub.8, R.sub.9, R.sub.10, R.sub.11, and R.sub.12 are hydrogen.

27. The compound of claim 16, wherein the X anion is selected from a group consisting of chlorate ion, perchlorate ion, bromate ion, perbromate ion, iodate ion, periodate ion, nitrate ion, fulminate ion, diazenyl group, and azide ion.

28. A method of preparing a compound of claim 16, comprising: mixing A component or A′ component, B component or B′ component, and X component, in any order, in a liquid reaction system; and obtaining a solid product produced in the liquid reaction system; wherein, the A component is selected from a group consisting of nitrogen-containing organic compounds and salts thereof; the B component and the A′ component are selected from a group consisting of alkali metal salts and hydroxides, ammonium salts, ammonia, silver salts, monovalent nitrogen-containing cation salts, and monovalent nitrogen-containing bases; the B′ component is selected from a group consisting of saturated aliphatic diammonium salts and saturated aliphatic diamines; the X component is selected from a group consisting of acids and salts comprising anionic energetic ligands; and the liquid reaction system is a polar solvent dissolving the A component or A′ component, the B component or B′ component, and the X component.

29. The method of claim 28, wherein the compound is compound ABX.sub.3 consisting of A cation, B cation, and X anion, wherein the A cation is a nitrogen-containing organic cation; the B cation is a cation; the X anion is an anionic energetic ligand; the A component is at least one selected from a group consisting of nitrogen-containing organic compounds and salts thereof; the B component is selected from a group consisting of salts and hydroxides comprising cations, and ammonia; and the X component comprises at least one selected from a group consisting of anionic acids and salts; or the compound is compound AB′X.sub.4 consisting of A cation, B′ cation, and X anion, or is compound B′.sub.2A′X.sub.5 consisting of A′ cation, B′ cation, and X anion, wherein the A cation is a divalent nitrogen-containing monocyclic heterocyclic cation; the A′ cation is selected from a group consisting of nitrogen-containing organic compounds and salts thereof; the B′ cation is a saturated aliphatic diammonium cation; the X anion is an anionic energetic ligand; the A component is selected from a group consisting of divalent nitrogen-containing monocyclic heterocycles and salts thereof, comprising onium salts; the A′ component is selected from a group consisting of salts and hydroxides of alkali metal, monovalent nitrogen-containing cation salts, and monovalent nitrogen-containing bases; the B component is selected from a group consisting of saturated aliphatic diammonium salts and saturated aliphatic diamines; and the X component is selected from a group consisting of acids and salts comprising anions.

30. The method of claim 28, wherein the A component is selected from a group consisting of compounds of Formula (XI), compounds of Formula (XII), salts of ions of Formula (I) comprising onium salts thereof, and salts of ions of Formula (II) comprising onium salts thereof, and derivatives thereof, wherein n.sub.1, n.sub.2, n.sub.3, n.sub.4, and n.sub.5 each is a positive integer; R.sub.1, R.sub.2, R.sub.3, and R.sub.4 are selected from a group consisting of hydrogen, methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, and nitro groups; the derivatives refer to the organic cationic moiety in which hydrogen atoms are substituted, simultaneously or not, with substituents, and the substituents comprise methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, tert-butyl, hydroxyl, carbonyl, carboxyl, amino, halogen, mercapto, peroxy, diazenyl, or nitro, ##STR00015## ##STR00016## wherein the A component is selected from a group consisting of compounds of Formula (XI), and salts of Formula (I), comprising onium salts thereof, and derivatives thereof, and any one of n.sub.1 and n.sub.2 is greater than 2, or any one of R.sub.1 and R.sub.2 comprises at least one carbon atom; or the A component is selected from a group consisting of compounds of Formula (XII), and salts of ions of Formula (II), comprising onium salts thereof, and derivatives thereof, and any one of n.sub.3, n.sub.4, and n.sub.5 is greater than 2, or any one of R.sub.3 and R.sub.4 comprises at least one carbon atom.

31. The method of claim 28, wherein the B component is selected from a group consisting of potassium salts, potassium hydroxide, ammonium salts, ammonia, silver salts, hydroxylammonium ion-containing salts, hydroxylammonium ion-containing bases, hydrazinium ion-containing salts, and hydrazinium ion-containing bases.

32. The method of claim 28, wherein the A′ component is at least one selected from a group consisting of salts and hydroxides of monovalent cations.

33. The method of claim 28, wherein the B component is at least one selected from a group consisting of salts and hydroxides of ions of a general formula R.sub.7R.sub.8R.sub.9N.sup.+-(C.sub.n3H.sub.2n3)-N.sup.+R.sub.10R.sub.11R.sub.12, and amines of a general formula R.sub.2R.sub.8N-(C.sub.n3H.sub.2n3)-NR.sub.10R.sub.11, wherein n.sub.3 is 1, 2, 3, 4, or 5, and R.sub.7, R.sub.8, R.sub.9, R.sub.10, R.sub.11, and R.sub.12 are selected from a group consisting of hydrogen, methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, and tert-butyl.

34. The method of claim 28, wherein the X component is selected from a group consisting of chloric acid, chlorate, perchloric acid, perchlorate, bromic acid, bromate, perbromic acid, perbromate, iodic acid, iodate, periodic acid, periodate, nitric acid, nitrate, fulminic acid, fulminate, azo salts, and azide salts.

35. An energetic material comprising the compound of claims 16.

Description

BRIEF DESCRIPTION OF THE DRAWINGS

[0170] FIG. 1 is a schematic diagram of the crystal structure of a compound ABX.sub.3.

[0171] FIG. 2 is a schematic diagram of the crystal structure of a compound ABX.sub.3.

[0172] FIG. 3 is a schematic diagram of the crystal structure of a compound ABX.sub.3.

[0173] FIG. 4 is a schematic diagram of the crystal structure of a compound ABX.sub.3.

[0174] FIG. 5 is a schematic diagram of the crystal structure of a compound ABX.sub.3.

[0175] FIG. 6 is a schematic diagram of the crystal structure of a compound ABX.sub.3.

[0176] FIG. 7 is a schematic diagram of the crystal structure of a compound AB′X.sub.4.

[0177] FIG. 8 is a schematic diagram of the crystal structure of a compound B′.sub.2A′X.sub.5.

[0178] FIG. 9 is a powder X-ray diffraction pattern of compound PAP-4 of Example 1.

[0179] FIG. 10 is a differential thermal analysis curve of compound PAP-4 of Example 1.

[0180] FIG. 11 is a powder X-ray diffraction pattern of a compound PAP-M4 of Example 2.

[0181] FIG. 12 is a differential thermal analysis curve of compound PAP-M4 of Example 2.

[0182] FIG. 13 is a powder X-ray diffraction pattern of compound PAP-H4 of Example 3.

[0183] FIG. 14 is a differential thermal analysis curve of compound PAP-H4 of Example 3.

[0184] FIG. 15 is a powder X-ray diffraction pattern of compound DAP-04 of Example 4.

[0185] FIG. 16 is a differential thermal analysis curve of compound DAP-04 of Example 4.

[0186] FIG. 17 is a powder X-ray diffraction pattern of compound DAP-M4 of Example 5.

[0187] FIG. 18 is a differential thermal analysis curve of compound DAP-M4 of Example 5.

[0188] FIG. 19 is a powder X-ray diffraction pattern of compound PAP-5 of Example 6.

[0189] FIG. 20 is a differential thermal analysis curve of compound PAP-5 of Example 6.

[0190] FIG. 21 is a powder X-ray diffraction pattern of compound PAP-M5 of Example 7.

[0191] FIG. 22 is a differential thermal analysis curve of compound PAP-M5 of Example 7.

[0192] FIG. 23 is a powder X-ray diffraction pattern of compound PAP-H5 of Example 8.

[0193] FIG. 24 is a differential thermal analysis curve of compound PAP-H5 of Example 8.

[0194] FIG. 25 is a powder X-ray diffraction pattern of compound DAP-5 of Example 9.

[0195] FIG. 26 is a differential thermal analysis curve of compound DAP-5 of Example 9.

[0196] FIG. 27 is a powder X-ray diffraction pattern of compound PAP-H2 of Example 11.

[0197] FIG. 28 is a differential thermal analysis curve of compound PAP-H2 of Example 11.

[0198] FIG. 29 is a powder X-ray diffraction pattern of compound DAP-6 of Example 12.

[0199] FIG. 30 is a differential thermal analysis map of compound DAP-6 of Example 12.

[0200] FIG. 31 is a powder X-ray diffraction pattern of compound DAP-7 of Example 13.

[0201] FIG. 32 is a differential thermal analysis map of compound DAP-7 of Example 13.

[0202] FIG. 33 is a powder X-ray diffraction pattern of compound EAP of Example 14.

[0203] FIG. 34 is a differential thermal analysis map of compound EAP of Example 14.

[0204] FIG. 35 is a powder X-ray diffraction pattern of compound PEP of Example 15.

[0205] FIG. 36 is a differential thermal analysis map of compound PEP of Example 15.

[0206] FIG. 37 is a powder X-ray diffraction pattern of compound MPEP of Example 16.

[0207] FIG. 38 is a differential thermal analysis map of compound MPEP of Example 16.

[0208] FIG. 39 is a powder X-ray diffraction pattern of compound HPEP of Example 17.

[0209] FIG. 40 is a differential thermal analysis map of compound HPEP of Example 17.

DETAILED DESCRIPTION

[0210] The inventor designs a series of compounds with specific chemical general formulas and does correlational researches on application of the compounds as simple substance energetic materials in the field of energetic materials. In some embodiments, the compounds are ternary crystalline state energetic compounds. In some embodiments, the energetic compounds may be expressed as the general formula ABX.sub.3. In some embodiments, the compounds may be expressed as the general formula AB′X.sub.4. In some embodiments, the compounds may be expressed as the general formula B′.sub.2A′X.sub.5. In some embodiments, the crystalline state compounds have the characteristics of a perovskite type structure. For example, the crystalline state compounds have the characteristics of a perovskite type structure of the chemical general formula ABX.sub.3.

[0211] In some embodiments, X in ABX.sub.3, AB′X.sub.4 or B′.sub.2A′X.sub.5 is an anion energetic ligand. The energetic ligand refers to a group with explosiveness. Common explosive groups include but not limited to ClO.sub.3.sup.-, ClO.sub.4.sup.-, IO.sub.4.sup.-, NO.sub.3.sup.-, ONC.sup.-, an diazenyl group, an azide ion, nitryl and the like.

[0212] In some embodiments, in ABX.sub.3, AB′X.sub.4 or B′.sub.2A′X.sub.5, for example, X may include one or more ions, and 2, 3, 4, 5, 6, 7, 8, 9, 10 ... types of ions may exist simultaneously. A, A′ and B are also the same. When perovskite includes more than one A cation or one A′ cation, different A cations or A′ cations may be distributed on an A site or an A′ site orderly or disorderly. When perovskite includes more than one B cations, different B cations may be distributed on a B site orderly or disorderly. When perovskite includes more than one X anion, different X anions may be distributed on an X site orderly or disorderly.

[0213] Based on the properties, as described herein, “X is ... group/ion”, “A is ... group/ion”, “A′ is ... group/ion”, “B is ... group/ion”, “B′ is ... group/ion”, “X is selected from at least one of...”, “A is selected from at least one of...”, “A′ is selected from at least one of...”, ‘B is selected from at least one of...”, “B’ is selected from at least one of...” and the like should be understood as, for example, for X, there are a lot of X sites in three-dimensional crystal structures of ABX.sub.3, AB′X.sub.4 or B′.sub.2A′X.sub.5; each X site is composed of ions; in the three-dimensional crystal structures, a plurality of X sites may be composed of the same type of ions, and may also be composed of various different ions; and when the plurality of X sites are composed of different ions, there are at least some sites (or most sites) therein are composed of ... groups/ions. At the moment, it is not exclusive that, in the whole three-dimensional crystal structures of ABX.sub.3, AB′X.sub.4 or B′.sub.2A′X.sub.5, there are a few sites that are not composed on the ... groups/ions or are some other foreign ions, so long as the quantity of these sites does not influence the whole performance to a great extent. The few sites may be, for example, under 50% of the mole number, which is not more than 40%, 30%, 25%, 20%, 15%, 10%, 9%, 8%, 7%, 6%, 5%, 4%, 3%, 2% or 1%. The same applies to A and B.

[0214] In some embodiments, the present application provides various identification and characterization methods comprising characterizing and testing of powder X-ray single-crystal structures, identifying of X-ray powder diffraction, testing and characterizing of a DTA (Differential Thermal Analysis), testing and characterizing of impact and friction sensitivity, calculating of detonation parameters (values of detonation heat/detonation pressure/detonation velocity) and the like.

[0215] In some embodiments, the synthesis of the compounds ABX.sub.3, AB′X.sub.4 or B′.sub.2A′X.sub.5 may be carried out according to a synthesis method disclosed by the present application.

[0216] A schematic diagram of a crystal structure of a type of perovskite compound ABX.sub.3 is shown in FIG. 1. As shown in FIG. 1, it can be seen that a cation on each B site (such as an ammonium ion) is connected with six adjacent anions on X sites, and the anion on each X site is connected with two adjacent cations on the B sites, so as to form a three-dimensional anion skeleton formed by cubic cage-shaped units; and an organic cation on each A site is filled in a hole of each cubic cage-shaped unit.

[0217] A schematic diagram of a crystal structure of a type of perovskite compound ABX.sub.3 is shown in FIG. 2. As shown in FIG. 2, it can be seen that a cation on each B site (such as a silver ion) is connected with six adjacent anions on X sites, and the anion on each X site is connected with two adjacent ions on the B sites, so as to form a three-dimensional anion skeleton formed by cubic cage-shaped units; and an organic cation on each A site is filled in a hole of each cubic cage-shaped unit.

[0218] A schematic diagram of a crystal structure of a type of perovskite compound ABX.sub.3 is shown in FIG. 3. As shown in FIG. 3, it can be seen that six anions on X sites are around a cation (such as a silver ion) on each B site, so as to form a BX.sub.6 octahedron; the adjacent cations are connected in a b-axis direction through three .Math..sub.2-anions, so as to form a one-dimensional chain; and an organic cation on each A site is filled between the chains.

[0219] A schematic diagram of a crystal structure of a type of perovskite compound ABX.sub.3 is shown in FIG. 4. As shown in FIG. 4, it can be seen that a cation (such as a potassium ion) on each B site is connected with six adjacent anions on X sites, and the anion on each X site is connected with two adjacent cations on the B sites, so as to form a three-dimensional anion skeleton formed by cubic cage-shaped units; and an organic cation on each A site is filled in a hole of each cubic cage-shaped unit.

[0220] A schematic diagram of a crystal structure of a type of perovskite compound ABX.sub.3 is shown in FIG. 5. As shown in FIG. 5, it can be seen that six anions (such as ClO.sub.4.sup.- ions) on X sites are around a cation (such as a NH.sub.3OH.sup.+ ion) on each B site, so as to form a squashed octahedron; the adjacent cations on the B sites are connected in a b-axis direction through three .Math..sub.2-anions on the X sites, so as to form a one-dimensional chain; and an organic cation (such as a 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H.sub.2dabco.sup.2+) cation) on each A site is filled between the chains.

[0221] A schematic diagram of a crystal structure of a type of perovskite compound ABX.sub.3 is shown in FIG. 6. As shown in FIG. 6, it can be seen that six anions (such as ClO.sub.4.sup.- ions) on X sites are around a cation (such as a NH.sub.2NH.sub.3.sup.+ ion) on each B site, so as to form a squashed octahedron; the adjacent cations on the B sites are connected in a b-axis direction through three .Math..sub.2-anions on the X sites, so as to form a one-dimensional chain; and an organic cation (such as a 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H.sub.2dabco.sup.2+) cation) on each A site is filled between the chains.

[0222] A schematic diagram of a crystal structure of a type of perovskite compound AB′X.sub.4 is shown in FIG. 7. As shown in FIG. 7, it can be seen that ten anions (such as ClO.sub.4.sup.- ions) on X sites are around a cation (such as a H.sub.2EA.sup.2+ ion) on each B′ site, so as to form an irregular dodecahedron (as shown in FIG. 7a); the adjacent cations on the B′ sites are connected in a b-axis direction and a c-axis direction through four .Math..sub.4-anions on the X sites and six .Math..sub.2-anions on the X sites, so as to form a layered structure (as shown in FIG. 7b); and organic cations (such as piperazine cations) on A sites between two adjacent layers and anions on the X sites are arranged alternately (as shown in FIG. 7c).

[0223] A schematic diagram of a crystal structure of a type of perovskite compound B′.sub.2A′X.sub.5 is shown in FIG. 8. As shown in FIG. 8, it can be seen that adjacent cations (such as ammonium ions) on A′ sites are connected with each other to form a diamond mesh structure; an independent unit of the structure has anions on X sites (such as ClO.sub.4.sup.- ions), wherein one type of anions are connected to form a diamond mesh structure, the length of one side of which is the same as the length of one side of the diamond mesh structure formed by the adjacent cations on the A′ sites; two sets of diamond meshes are crosses; six cations (such as diaminoethane cations) on B′ sites are around the cation on each A′ site and the anion on the type of X site, so as to form an octahedral structure; three octahedrons are connected through a .Math..sub.3-cation on the B′ site; and an anion on another X site is among the three octahedrons.

[0224] In one embodiment, a compound (C.sub.4H.sub.12N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (denoted by PAP-4) is provided as an energetic material. The compound is crystallized at an Fm-3c space group of a cubic crystal system under 298 K; cell parameters are a=b=c=14.5631(3) Å; and the powder X-ray diffraction (a Cu-K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 12.10±0.2°, 17.17±0.2°, 21.03±0.2°, 24.33±0.2°, 27.27±0.2°, 29.95±0.2°, 34.70±0.2°, 36.30±0.2°, 36.89±0.2°, 40.95±0.2°, 42.81±0.2°, 44.67±0.2° and 47.95±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 288.2° C. The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT (Density Functional Theory) and a K-J empirical formula are: 6.00 kJ/g, 8.63 km/s and 32.4 GPa respectively. The values of the enthalpy of formation and the theoretical specific impulse of the energetic compound, which are obtained by applying a DFT and EXPLO5 software are: -537.7 kJ/mol and 264.2 s respectively.

[0225] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (denoted by PAP-M4) is provided as an energetic material. The compound is crystallized at a Pnma space group of an orthorhombic crystal system under 298 K; cell parameters are a=10.2673(2) Å, b=14.7004(2) Å, and c=20.9914(3) Å; and the powder X-ray diffraction (a Cu-K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 7.45±0.2°, 9.68±0.2°, 12.15±0.2°, 13.57±0.2°, 15.45±0.2°, 16.53±0.002°, 17.35±0.2°, 18.34±0.2°, 18.86±0.2°, 20.86±0.2°, 21.88±0.2°, 22.95±0.2°, 23.72±0.2°, 24.31±0.2°, 25.15±0.2°, 26.97±0.2°, 27.46±0.2°, 27.66±0.2°, 28.21±0.2°, 29.13±0.2°, 29.95±0.2°, 30.51±0.2°, 31.13±0.2°, 33.05±0.2°, 34.56±0.2°, 35.52±0.2°, 36.56±0.2°, 37.93±0.2°, 38.83±0.2° and 39.93±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 323.1° C. A characterization result of friction sensitivity indicates that PAP-M4 is more sensitive to the friction sensitivity (FS≤6N), and a characterization result of impact sensitivity indicates that PAP-M4 is more insensitive to the impact sensitivity (IS=30 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 5.14 kJ/g, 8.31 km/s and 30.3 GPa respectively. The values of the enthalpy of formation and the theoretical specific impulse of the energetic compound, which are obtained by applying a DFT and EXPLO5 software are: -859.9 kJ/mol and 241.2 s respectively.

[0226] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (denoted by PAP-H4) is provided as an energetic material. The compound is crystallized at a P2.sub.1/n space group of a monoclinic crystal system under 223 K; cell parameters are a=19.7404(5) Å b=14.3294(5) Å, c=21.2948(8) Å, and β=90.075(3)°; and the powder X-ray diffraction (a Cu-K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 6.14±0.2°, 7.66±0.2°, 12.25±0.2°, 13.70±0.2°, 14.86±0.2°, 16.58±0.2°, 17.41±0.2°, 18.29±0.2°, 19.05±0.2°, 20.70±0.2°, 21.86±0.2°, 22.27±0.2°, 22.99±0.2°, 23.37±0.2°, 24.50±0.2°, 24.80±0.2°, 25.29±0.2°, 25.93±0.2°, 26.50±0.2°, 27.74±0.2°, 28.31±0.2°, 29.32±0.2°, 29.95±0.2°, 30.48±0.2°, 30.83±0.2°, 31.52±0.2°, 33.36±0.2°, 34.07±0.2°, 35.13±0.2°, 35.64±0.2°, 36.20±0.2°, 36.62±0.2°, 37.11±0.2°, 37.91±0.2°, 39.42±0.2° and 39.97±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 348.9° C. A characterization result of friction sensitivity indicates that PAP-H4 is more sensitive to the friction sensitivity (FS=6N), and a characterization result of impact sensitivity indicates that PAP-H4 is more insensitive to the impact sensitivity (IS=27.5 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 5.76 kJ/g, 8.76 km/s and 34.3 GPa respectively. The values of the enthalpy of formation and the theoretical specific impulse of the energetic compound, which are obtained by applying a DFT and EXPLO5 software are: -600.4 kJ/mol and 255.4 s respectively.

[0227] In one embodiment, a compound (C.sub.6H.sub.14N.sub.2O)(NH.sub.4)(ClO.sub.4).sub.3 (denoted by DAP-04) is provided as an energetic material. The compound is crystallized at an Fm-3c space group of a cubic crystal system under 298 K; cell parameters are a=b=c=14.7627(1) Å, and β = 90°; and the powder X-ray diffraction (a Cu-K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 12.06±0.2°, 20.90±0.2°, 24.15±0.2°, 27.05±0.2°, 29.7±0.2°, 34.38±0.2°, 35.99±0.2°, 36.52±0.2°, 38.60±0.2°, 40.52±0.2°, 42.42±0.2° and 49.36±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 352.0° C. A characterization result of friction sensitivity indicates that DAP-04 is more sensitive to the friction sensitivity (FS<5N), and a characterization result of impact sensitivity indicates that DAP-04 is more insensitive to the impact sensitivity (IS=17.5 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 6.21 kJ/g, 8.90 km/s and 35.7 GPa respectively. The values of the enthalpy of formation and the theoretical specific impulse of the energetic compound, which are obtained by applying a DFT and EXPLO5 software are: -436.1 kJ/mol and 262.4 s respectively.

[0228] In one embodiment, a compound (C.sub.7H.sub.16N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (denoted by DAP-M4) is provided as an energetic material. The compound is crystallized at a P2.sub.1 space group of a monoclinic crystal system under 298 K; cell parameters are a=10.1520(2) Å, b=10.9824(2) Å, c=14.7774(2) Å, and β=89.856(1)°; and the powder X-ray diffraction (a Cu-K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 9.94±0.2°, 11.81±0.2°, 11.44±0.2°, 17.07±0.2°, 18.29±0.2°, 20.00±0.2°, 21.03±0.2°, 23.90±0.2°, 24.39±0.2°, 25.71±0.2°, 26.64±0.2°, 27.35±0.2°, 28.00±0.2°, 28.43±0.2°, 29.83±0.2°, 31.42±0.2°, 32.43±0.2°, 33.06±0.2°, 33.88±0.2°, 34.61±0.2°, 35.03±0.2°, 35.38±0.2°, 35.89±0.2°, 36.15±0.2°, 36.60±0.2°, 37.29±0.2°, 38.35±0.002°, 39.97±0.2° and 40.70±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 364.0° C. A characterization result of friction sensitivity indicates that DAP-M4 is more sensitive to the friction sensitivity (FS=10N), and a characterization result of impact sensitivity indicates that DAP-M4 is a bit sensitive to the impact sensitivity (IS=7.5 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 4.99 kJ/g, 8.09 km/s and 28.8 GPa respectively. The values of the enthalpy of formation and the theoretical specific impulse of the energetic compound, which are obtained by applying a DFT and EXPLO5 software are: -839.1 kJ/mol and 225.2 s respectively.

[0229] In one embodiment, a compound (C.sub.4H.sub.12N.sub.2)[Ag(ClO.sub.4).sub.3] (denoted by PAP-5) is provided as an energetic material. The compound is crystallized at a P2.sub.1/c space group of a monoclinic crystal system under 223 K; cell parameters are a=10.1221(2) Å, b=9.6470(2) Å, c=13.2672(3) Å, and β=91.7815(19)°; and the powder X-ray diffraction (a Cu-K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 12.88±0.2, 13.43±0.2°, 14.64±0.2°, 17.68±0.2°, 18.35±0.2°, 18.73±0.2°, 19.78±0.2°, 21.82±0.2°, 22.54±0.2°, 22.90±0.2°, 24.07±0.2°, 25.66±0.2°, 26.44±0.2°, 26.80±0.2°, 28.11±0.2°, 28.74±0.2°, 29.32±0.2°, 30.01±0.2°, 30.83±0.2°, 31.56±0.2°, 32.40±0.2°, 32.70±0.2°, 35.50±0.2°, 36.89±0.2°, 37.73±0.2°, 38.52±0.2°, 38.79±0.2°, 39.24±0.2°, 39.83±0.2° and 40.24±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 341.6° C. A characterization result of friction sensitivity indicates that PAP-5 is more sensitive to the friction sensitivity (FS≤5N). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 4.88 kJ/g, 8.96 km/s and 42.4 GPa respectively.

[0230] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)[Ag(ClO.sub.4).sub.3] (denoted by PAP-M5) is provided as an energetic material. The compound is crystallized at a Pnma space group of an orthorhombic crystal system under 298 K; cell parameters are a=10.1827(3)Å, b=13.8975(4) Å, and c=20.2734(5) Å; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 8.74±0.2°, 9.72±0.2°, 11.61±0.2°, 12.33±0.2°, 12.76±0.2°, 14.60±0.2°, 15.76±0.2°, 17.02±0.2°, 17.43±0.2°, 17.78±0.2°, 18.56±0.2°, 19.60±0.2°, 20.60±0.2°, 24.82±0.2°, 25.68±0.2°, 26.64±0.2°, 27.52±0.2°, 27.99±0.2°, 28.56±0.2°, 29.46±0.2°, 30.62±0.2°, 31.03±0.2°, 31.54±0.2°, 32.21±0.2°, 33.97±0.2°, 34.48±0.2°, 35.50±0.2°, 36.13±0.2°, 37.40±0.2°, 37.93±0.2°, 38.24±0.2°, 38.91±0.2°, 39.46±0.2° and 40.99±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 308.3° C. A test result of sensitivity indicates that PAP-M5 is more sensitive to friction (FS≤5N). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 5.42 kJ/g, 8.73 km/s and 39.2 GPa respectively.

[0231] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)[Ag(ClO.sub.4).sub.3] (denoted by DAP-H5) is provided as an energetic material. The compound is crystallized at a P2.sub.1/n space group of a monoclinic crystal system under 298 K; cell parameters are a=10.7045(2) Å, b=8.60470(10) Å, c=15.6254(3) Å, and β=90.345(2)°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 10.00±0.2°, 11.33±0.2°, 14.37±0.2°, 16.56±0.2°, 18.98±0.2°, 20.39±0.2°, 20.66±0.2°, 21.66±0.2°, 22.62±0.2°, 23.01±0.2°, 23.62±0.2°, 25.05±0.2°, 25.60±0.2°, 26.09±0.2°, 26.60±0.2°, 27.21±0.2°, 27.66±0.2°, 28.19±0.2°, 29.03±0.2°, 29.85±0.2°, 30.93±0.2°, 31.81±0.2°, 32.09±0.2°, 32.87±0.2°, 33.15±0.2°, 33.5±0.2°, 34.68±0.2°, 35.54±0.2°, 36.58±0.2°, 37.07±0.2°, 38.20±0.2°, 38.56±0.2°, 39.89±0.2° and 40.52±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 328.7° C. A test result of sensitivity indicates that DAP-H5 is more sensitive to friction (FS≤N). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 5.36 kJ/g, 8.69 km/s and 38.7 GPa respectively.

[0232] In one embodiment, a compound (C.sub.6H.sub.14N.sub.2)[Ag(ClO.sub.4).sub.3] (denoted by DAP-5) is provided as an energetic material. The compound is crystallized at a Pa-3 space group of a cubic crystal system under 223 K; a cell parameter is a=14.1379(3) Å; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 12.46±0.2°, 13.90±0.2°, 17.62±0.2°, 18.72±0.2°, 21.64±0.2°, 23.41±0.2°, 25.06±0.2°, 25.83±0.2°, 28.06±0.2°, 28.75±0.2°, 30.83±0.2°, 31.48±0.2°, 33.90±0.2°, 34.53±0.2°, 35.72±0.2°, 36.29±0.2°, 37.41±0.2°, 37.96±0.2°, 39.06±0.2°, 40.11±0.2°, 40.62±0.2°, 41.15±0.2°, 41.68±0.2°, 42.13±0.2°, 42.76±0.2°, 44.12±0.2°, 44.58±0.2°, 45.09±0.2°, 46.03±0.2°, 46.15±0.2°, 46.64±0.2°, 47.88±0.2°, 47.98±0.2°, 48.32±0.2° and 49.24±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 313.7° C. A test result of sensitivity indicates that DAP-5 is more sensitive to impact and friction (IS=3J, and FS≤5N). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 4.76 kJ/g, 8.59 km/s and 38.5 GPa respectively.

[0233] In one embodiment, a compound (C.sub.4H.sub.12N.sub.2)[K(ClO.sub.4).sub.3] (denoted by PAP-2) is provided as an energetic material. The compound is crystallized at a Pbcm space group of an orthorhombic crystal system under 284 (17) K; cell parameters are a=10.3353(6) Å, b=9.6777(6) Å, c=13.9862(10) Å, and α=β=γ=90°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 8.55±0.2, 12.52±0.2°,12.65±0.2°, 14.03±0.2°, 15.29±0.2°, 17.15±0.2°, 17.83±0.2°, 18.32±0.2°, 19.40±0.2°, 20.25±0.2°, 20.48±0.2°, 21.23±0.2°, 21.36±0.2°, 22.32±0.2°, 22.84±0.2°, 23.27±0.2°, 23.94±0.2°, 25.19±0.2°, 25.45±0.2°, 26.53±0.2°, 26.90±0.2°, 27.34±0.2°, 27.46±0.2°, 27.92±0.2°, 28.20±0.2°, 28.28±0.2°, 28.46±0.2°, 28.87±0.2°, 28.97±0.2°, 29.68±0.2°, 30.34±0.2°, 30.85±0.2°, 31.54±0.2°, 31.73±0.2°, 31.76±0.2°, 31.86±0.2°, 32.24±0.2°, 32.51±0.2°, 32.70±0.2°, 33.34±0.2°, 33.62±0.2°, 34.41±0.2°, 34.69±0.2°, 35.19±0.2°, 35.95±0.2°, 36.12±0.2°, 36.53±0.2°, 37.06±0.2°, 37.37±0.2°, 37.70±0.2°, 38.10±0.2°, 38.25±0.2°, 38.59±0.2°, 38.73±0.2°, 38.94±0.2°, 39.38±0.2°, 39.51±0.2° and 40.05±0.2°. The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 6.29 kJ/g, 8.78 km/s and 36.6 GPa respectively.

[0234] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)[K(ClO.sub.4).sub.3] (denoted by PAP-H2) is provided as an energetic material. The compound is crystallized at a Pbca space group of an orthorhombic crystal system under 298 K; cell parameters are a=9.6351(3) Å, b=14.7473(4) Å, and c=20.9607(8) Å; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 8.44±0.2°, 11.96±0.2°, 12.461±0.2°, 12.68±0.2°, 13.84±0.2°, 14.66±0.2°, 16.78±0.2°, 17.46±0.2°, 18.40±0.2°, 19.36±0.2°, 19.82±0.2°, 20.76±0.2°, 22.00±0.2°, 22.40±0.2°, 22.74±0.2°, 24.04±0.2°, 24.42±0.2°, 25.08±0.2°, 25.46±0.2°, 25.82±0.2°, 26.14±0.2°, 26.48±0.2°, 27.16±0.2°, 27.88±0.2°, 28.24±0.2°, 28.86±0.2°, 29.04±0.2°, 29.54±0.2°, 29.76±0.2°, 30.44±0.2°, 30.72±0.2°, 31.02±0.2°, 31.20±0.2°, 31.64±0.2°, 32.24±0.2°, 32.76±0.2°, 33.08±0.2°, 33.24±0.2°, 33.60±0.2°, 34.20±0.2°, 34.36±0.2°, 35.02±0.2°, 35.32±0.2°, 35.50±0.2°, 35.72±0.2°, 35.84±0.2°, 36.04±0.2°, 36.38±0.2°, 36.58±0.2°, 37.38±0.2°, 37.54±0.2°, 37.80±0.2°, 38.04±0.2°, 38.30±0.2°, 38.52±0.2°, 38.68±0.2°, 38.78±0.2°, 39.28±0.2°, 39.64±0.2°, 39.84±0.2° and 40.26±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 367.4° C. A test result of sensitivity indicates that PAP-H2 is insensitive to impact and is more sensitive to friction, and the impact sensitivity and the friction sensitivity of PAP-H2 are IS=27.5 J and FS=7N respectively. The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 5.32 kJ/g, 8.17 km/s and 31.1 GPa respectively.

[0235] In one embodiment, a compound (C.sub.6H.sub.14N.sub.2)(NH.sub.3OH)(ClO.sub.4).sub.3 (denoted by DAP-6) is provided as an energetic material. The compound is crystallized at a P2.sub.1 space group of a monoclinic crystal system under 223 K; cell parameters are α=20.740(1) Å, b=8.2366(2) Å, c=20.790(1) Å, and β=119.65(1)°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 9.81±0.2°, 14.56±0.2°, 19.68±0.2°, 21.56±0.2°, 22.46±0.2°, 27.62±0.2°, 29.36±0.2°, 34.12±0.2°, 37.00±0.2° and 49.34±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 246.1° C. A characterization result of friction sensitivity indicates that DAP-6 is more sensitive to friction (FS≤5N), and a characterization result of impact sensitivity indicates that DAP-6 is more insensitive to impact (IS=15 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 1.52 kcal/g, 9.12 km/s and 38.1 GPa respectively.

[0236] In one embodiment, a compound (C.sub.6H.sub.14N.sub.2)(NH.sub.3NH.sub.2)(ClO.sub.4).sub.3 (denoted by DAP-7) is provided as an energetic material. The compound is crystallized at a P2.sub.1/m space group of a monoclinic crystal system under 223 K; cell parameters are α=10.378(2) Å, b=8.0505(7) Å, c=10.587(2) Å, and β=117.99(2)°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 14.52±0.2°, 19.36±0.2°, 19.76±0.2°, 21.98±0.2°, 22.30±0.2°, 22.65±0.2°, 29.78±0.2°, 35.74±0.2°, 37.40±0.2° and 49.68±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 376.1° C. A characterization result of friction sensitivity indicates that DAP-7 is more sensitive to friction (FS≤5N), and a characterization result of impact sensitivity indicates that DAP-7 is more insensitive to impact (IS=27.5 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a K-J empirical formula are: 1.43 kcal/g, 8.89 km/s and 35.80 GPa respectively.

[0237] In one embodiment, a compound (H.sub.2EA).sub.2(NH.sub.4)(ClO.sub.4).sub.5 (denoted by EAP) is provided as an energetic material. The compound is crystallized at an I4.sub.1/a space group of a tetragonal crystal system under 298 K; cell parameters are α=b=10.7731(1) Å, c=19.1420(3) Å, and α=β=γ=90°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 9.29±0.2°, 14.73±0.2°, 16.30±0.2°, 18.86±0.2°, 21.78±0.2°, 23.25±0.2°, 24.77±0.2°, 25.10±0.2°, 32.11±0.2°, 38.16±0.2° and 48.28±0.2°. A test result of a DTA indicates that EAP has two decomposition exothermic peaks, and the peak temperatures are 304.2° C. and 376.0° C. respectively. A characterization result of friction sensitivity indicates that EAP is more sensitive to friction (FS=36N), and a result of impact sensitivity indicates that EAP is more insensitive to impact (IS=12 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a Kamlet-Jacob empirical formula are: 5.07 kJ/g, 8.97 km/s and 37.0 GPa respectively.

[0238] In one embodiment, a compound (C.sub.4H.sub.12N.sub.2)(H.sub.2EA)(ClO.sub.4).sub.4 (denoted by PEP) is provided as an energetic material. The compound is crystallized at a Pbca space group of an orthorhombic crystal system under 298 K; cell parameters are a=23.9304(2) Å, b=10.3226(1) Å, c=31.4590(4) Å, and α=β=γ=90°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 11.31±0.2°, 11.84 ± 0.2°, 14.78±0.2°, 15.82±0.2°, 18.70±0.2°, 20.56±0.2°, 21.72±0.2°, 22.90±0.2°, 23.44±0.2°, 25.44±0.2°, 26.95±0.2°, 28.76±0.2°, 34.75±0.2°, 41.46±0.2° and 49.69±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of the compound is 311.6° C. A characterization result of friction sensitivity indicates that PEP is more sensitive to friction (FS=12N), and a characterization result of impact sensitivity indicates that PEP is more insensitive to impact (IS=9 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a Kamlet-Jacob empirical formula are: 6.10 kJ/g, 9.09 km/s and 37.6 GPa respectively.

[0239] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)(H.sub.2EA)(ClO.sub.4).sub.4 (denoted by MPEP) is provided as an energetic material. The compound is crystallized at a P2.sub.1/c space group of a monoclinic crystal system under 298 K; cell parameters are α=12.7872(5) Å, b=10.3107(3) Å, c=15.9171(5) Å, α=γ=90°, and β=99.987(4)°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 6.99 ± 0.2°, 14.04±0.2°, 14.94±0.2°, 16.68±0.2°, 18.57±0.2°, 19.53±0.2°, 21.13±0.2°, 22.42±0.2°, 23.88±0.2°, 26.13±0.2°, 26.85±0.2°, 33.33±0.2°, 34.69±0.2° and 47.76±0.2°. A test result of a DTA indicates that MPEP has three decomposition exothermic peaks, and the peak temperatures are 300.0° C., 323.0° C. and 368.0° C. respectively. A characterization result of friction sensitivity indicates that MPEP is more sensitive to friction (FS=9N), and a characterization result of impact sensitivity indicates that MPEP is more insensitive to impact (IS=20 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a Kamlet-Jacob empirical formula are: 5.86 kJ/g, 8.73 km/s and 34.0 GPa respectively.

[0240] In one embodiment, a compound (C.sub.5H.sub.14N.sub.2)(H.sub.2EA)(ClO.sub.4).sub.4 (denoted by HPEP) is provided as an energetic material. The compound is crystallized at a P2.sub.1/n space group of a monoclinic crystal system under 298 K; cell parameters are α=10.7045(2) Å, b=8.60470(10) Å, c=15.6254(3) Å, α=γ=90°, and β=90.345(2)°; and the powder X-ray diffraction (a Cu—K.sub.α ray) at room temperature occurs but not limited to the diffraction angle 2θ, which is about 7.02±0.2°, 10.98±0.2°, 14.11±0.2°, 15.47±0.2°, 18.35±0.2°, 21.01±0.2°, 22.43±0.2°, 23.54±0.2°, 25.37±0.2°, 26.46±0.2°, 27.50±0.2°, 42.10±0.2° and 48.46±0.2°. A test result of a DTA indicates that the peak temperature of thermal decomposition of HPEP is 324.6° C. A characterization result of friction sensitivity indicates that HPEP is more sensitive to friction (FS=12N), and a characterization result of impact sensitivity indicates that HPEP is more insensitive to impact (IS=17.5 J). The values of detonation heat, detonation velocity and detonation pressure of the energetic compound, which are obtained by adopting a detonation parameter calculating method reported by literatures and applying a DFT and a Kamlet-Jacob empirical formula are: 5.87 kJ/g, 8.76 km/s and 34.4 GPa respectively.

[0241] Data of the single-crystal structures of PAP-4, PAP-M4 and DAP-04 is determined on a Rigaku XtaLAB P300DS single-crystal diffractometer (Cu—K.sub.α, and λ=1.54184 Å). Data of the single-crystal structures of PAP-H4 and DAP-M4 is determined on an Agilent SuperNova single-crystal diffractometer (Mo—K.sub.α, and λ=0.71073 Å). Data of the X-ray powder diffraction is tested on an Advance D8 diffractometer (a θ-2θ scanning manner, and Cu—K.sub.α). Data of the DTA is tested and determined on a DTA 552-EX anti-explosion DTA of Idea Science Instrument Company of America. The impact sensitivity and the friction sensitivity are determined respectively on a BFH 10 BAM drop hammer impact sensitivity instrument and an FSKM 10 BAM friction sensitivity instrument according to the dangerous goods transport standard of the United Nations.

[0242] Wherein data of the single-crystal structures of PAP-5 and DAP-5 is determined on the Rigaku XtaLAB P300DS single-crystal diffractometer (Mo—K.sub.α, and λ=0.71073 Å) at the temperature of 223 K; and data of the single-crystal structures of PAP-M5 and PAP-H5 is determined on the Rigaku XtaLAB P300DS single-crystal diffractometer (Cu—K.sub.α, and λ=1.54184 Å) at the temperature of 298 K. Data of the X-ray powder diffraction is tested on the Advance D8 diffractometer (a θ-2θ scanning manner, and Cu—K.sub.α). Data of the DTA is tested and determined on the DTA 552-EX anti-explosion DTA of Idea Science Instrument Company of America. The impact sensitivity and the friction sensitivity are determined respectively on the BFH 10 BAM drop hammer impact sensitivity instrument and the FSKM10 BAM friction sensitivity instrument according to the dangerous goods transport standard of the United Nations.

[0243] Wherein data of the single-crystal structure of PAP-2 is determined on the Agilent SuperNova single-crystal diffractometer (Cu—K.sub.α, and λ=1.54178 Å); and data of the single-crystal structure of PAP-H2 is determined on the Rigaku XtaLAB P300DS single-crystal diffractometer (Cu—K.sub.α, and λ=1.54184 Å). Data of the X-ray powder diffraction is tested on the Advance D8 diffractometer (a θ-2θ scanning manner, and Cu—K.sub.α). Data of the DTA is tested and determined on the DTA 552-EX anti-explosion DTA of Idea Science Instrument Company of America. The impact sensitivity and the friction sensitivity are determined respectively on the BFH 10 BAM drop hammer impact sensitivity instrument and the FSKM10 BAM friction sensitivity instrument according to the dangerous goods transport standard of the United Nations.

[0244] Wherein data of the single-crystal structures of DAP-6 and DAP-7 is determined on the Agilent SuperNova single-crystal diffractometer (Cu—K.sub.α, and λ=1.54184 Å) at the temperature of 223 K. Data of the X-ray powder diffraction is tested on the Advance D8 diffractometer (a θ-2θ scanning manner, and Cu—K.sub.α). Data of the DTA is tested and determined on the DTA 552-EX anti-explosion DTA of Idea Science Instrument Company of America. The impact sensitivity and the friction sensitivity are determined respectively on the BFH 10 BAM drop hammer impact sensitivity instrument and the FSKM10 BAM friction sensitivity instrument according to the dangerous goods transport standard of the United Nations.

[0245] Data of the single-crystal structures of EAP, PEP, MPEP and HPEP is determined on the Rigaku XtaLAB P300DS single-crystal diffractometer (Cu—K.sub.α, and λ=1.54184 Å) at room temperature. Data of the X-ray powder diffraction is tested on the Advance D8 diffractometer (a θ-2θ scanning manner, and Cu—K.sub.α). Data of the DTA is tested and determined on the DTA 552-EX anti-explosion DTA of Idea Science Instrument Company of America. The impact sensitivity and the friction sensitivity are determined respectively on the BFH 10 BAM drop hammer impact sensitivity instrument and the FSKM10 BAM friction sensitivity instrument according to the dangerous goods transport standard of the United Nations.

Example 1

[0246] Synthesis and testing of (C.sub.4H.sub.12N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (PAP-4) (general formula ABX.sub.3; A is a piperazine-1,4-diium ion; B is NH.sub.4.sup.+; and X is ClO.sub.4.sup.-.)

[0247] Synthesis method: [0248] 1) 5.74 g of perchloric acid solution with the mass percent of 70%-72% was added into 15 mL of water, 2.35 g of ammonium perchlorate was added into the mixed solution while stirring, and the obtained mixed solution was stirred at normal temperature for 5 min; [0249] 2) 1.72 g of piperazine anhydrous was added into 5 mL of water for dissolving; and [0250] 3) the solution obtained in the step 1) was mixed with the solution obtained in the step 2); the obtained mixed solution was heated to 80° C., then was stirred for 10 min and was filtered; precipitates were washed by ethanol and then were dried under a vacuum condition, so as to obtain solid powder; and the solid powder was identified as a PAP-4 pure phase through X-ray powder diffraction, and the yield was 80%.

[0251] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 9.

[0252] Single crystal structure characterization test: detailed crystal determination data is shown in Table 1.

TABLE-US-00001 Crystal determination data of PAP-4 Complex PAP-4 Formula C.sub.4H.sub.16Cl.sub.3N.sub.3O.sub.12 Formula weight 404.55 T/K 298(2) λ/Å 1.54184 Crystal system cubic Space group Fm-3c a/Å 14.5631(3) V/Å.sup.3 3088.60(19) Z 8 D.sub.c /g cm.sup.-.sup.3 1.737 reflections collected 3025 unique reflections 143 R.sub.int 0.0889 R.sub.1 [I> 2σ(I)].sup.[a] 0.0711 wR.sub.2 [I> 2σ(I)].sup.[b] 0.2570 R.sub.1 (all data) 0.0733 wR.sub.2 (all data) 0.2647 GOF on F.sup.2 1.242 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0253] Differential thermal analysis (DTA) characterization of PAP-4: a DTA curve of PAP-4 is shown as FIG. 10. It can be known from FIG. 10 that the powder-state energetic compound PAP-4 is decomposed at the peak temperature of decomposition of 288.2° C., the decomposition peak type is sharp, and the decomposition is rapid.

[0254] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-4 obtained according to density functional theory (DFT): the value of decomposition heat of PAP-4 (the value of the decomposition enthalpy is ΔH.sub.det) is calculated to be about 1.43 kcal/g by adopting the DFT (J. Am. Chem. Soc. 2012, 134, 1422); and according to a Kamlet-Jacob formula, the detonation velocity of PAP-4 is calculated to be about 8.63 km/s, and the detonation pressure of PAP-4 is calculated to be about 32.4 GPa.

[0255] Theoretical specific impulse of energetic compound PAP-4 calculated by DFT and EXPLO5 software: the enthalpy of formation of PAP-4 is calculated to be about -537.7 kJ/mol by adopting the DFT (J. Am. Chem. Soc. 2012, 134, 1422), and the enthalpy of formation is substituted into EXPLO5 v.6.04.02 for calculation to obtain that the value of the theoretical specific impulse of PAP-4 is 264.2 s. As a contrast, by taking a 1,4-diazabicyclo[2.2.2]octane-1,4-diium ion as (C.sub.6H.sub.14N.sub.2)[NH.sub.4(ClO.sub.4).sub.3] (DAP-4) of an A cation, the theoretical enthalpy of formation is -484.0 kJ/mol under the same condition, and the enthalpy of formation is substituted into EXPLO5 v.6.04.02 for calculation to obtain that the value of the theoretical specific impulse of DAP-4 is 253.5 s.

[0256] Volume of gas produced per mole of PAP-4: a product of complete explosion of an energetic material in an oxygen-free environment is judged according to literatures (J. Am. Chem. Soc.2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), and final decomposition products are: gaseous substances, such as nitrogen, hydrogen halide, water, carbon dioxide and the like, and solid substances, such as metallic chlorate, a simple substance carbon (if oxygen atoms are not enough to completely translate all carbon atoms into carbon dioxide) and the like. Therefore, after 1 mol of PAP-4 is completely exploded in the oxygen-free environment, 13.75 mol of gas substances are generated, and 3.25 mol of simple substances carbon are left. Under the condition that an enough oxidizing agent (such as common NH.sub.4ClO.sub.4) is mixed, no residue is left after PAP-4 is completely exploded.

Example 2

[0257] Synthesis and testing of (C.sub.5H.sub.14N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (PAP-M4) (general formula ABX.sub.3; A is a 1-methylpiperazine-1,4-diium ion; B is NH.sub.4.sup.+; and X is ClO.sub.4.sup.-.)

[0258] Synthesis method: [0259] 1) 5.74 g of perchloric acid solution with the mass percent of 70%-72% was added into 15 mL of water, 2.35 g of ammonium perchlorate was added into the mixed solution while stirring, and the obtained mixed solution was stirred at normal temperature for 5 min; [0260] 2) 2.00 g of 1-methylpiperazine was added into 5 mL of water for dissolving; and [0261] 3) the solution obtained in the step 1) was mixed with the solution obtained in the step 2); the obtained mixed solution was stirred for 10 min and was filtered; precipitates were washed by ethanol and then were dried under a vacuum condition, so as to obtain solid powder; and the solid powder was identified as a PAP-M4 pure phase through X-ray powder diffraction, and the yield was 80%.

[0262] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 11.

[0263] Single crystal structure characterization test: detailed crystal determination data is shown in Table 2.

TABLE-US-00002 Crystal determination data of PAP-M4 Complex PAP-M4 Formula C.sub.5H.sub.18Cl.sub.3N.sub.3O.sub.12 Formula weight 418.57 T/K 298(2) λ/Å 1.54178 Crystal system orthorhombic Space group Pnma a/Å 10.26733(15) b/Å 14.7004(2) c/Å 20.9914(3) V/Å.sup.3 3168.32(8) Z 8 D.sub.c /g cm.sup.-3 1.755 reflections collected 15561 unique reflections 3399 R.sub.int 0.0381 R.sub.1 [I> 2σ(I)] .sup.[a] 0.0563 wR.sub.2 [I> 2σ(I)] .sup.[b] 0.1611 R.sub.1 (all data) 0.0593 wR.sub.2 (all data) 0.1633 GOF on F.sup.2 1.078 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0264] Differential thermal analysis (DTA) characterization of PAP-M4: a DTA curve of PAP-M4 is shown as FIG. 12. It can be known from FIG. 12 that the powder-state energetic compound PAP-M4 is decomposed at the peak temperature of decomposition of 323.1° C., the decomposition peak type is sharp, and the decomposition is rapid.

[0265] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-M4 obtained according to density functional theory (DFT): the value of decomposition heat of PAP-M4 (the value of the decomposition enthalpy is ΔH.sub.det) is calculated to be about 1.23 kcal/g by adopting the DFT (J. Am. Chem. Soc. 2012, 134, 1422); and according to a Kamlet-Jacob formula, the detonation velocity of PAP-M4 is calculated to be about 8.31 km/s, and the detonation pressure of PAP-M4 is calculated to be about 30.3 GPa.

[0266] Theoretical specific impulse of energetic compound PAP-M4 calculated by DFT and EXPLO5 software: the enthalpy of formation of PAP-M4 is calculated to be about -859.9 kJ/mol by adopting the DFT (J. Am. Chem. Soc. 2012, 134, 1422), and the enthalpy of formation is substituted into EXPLO5 v.6.04.02 for calculation to obtain that the value of the theoretical specific impulse of PAP-M4 is 241.2 s.

[0267] Volume of gas produced per mole of PAP-M4: a product of complete explosion of an energetic material in an oxygen-free environment is judged according to literatures (J. Am. Chem. Soc.2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), and final decomposition products are: gaseous substances, such as nitrogen, hydrogen halide, water, carbon dioxide and the like, and solid substances, such as metallic chlorate, a simple substance carbon (if oxygen atoms are not enough to completely translate all carbon atoms into carbon dioxide) and the like. Therefore, after 1 mol of PAP-M4 is completely exploded in the oxygen-free environment, 14.25 mol of gas substances are generated, and 2.75 mol of simple substances carbon are left. Under the condition that an enough oxidizing agent (such as common NH.sub.4ClO.sub.4) is mixed, no residue is left after PAP-M4 is completely exploded.

Example 3

[0268] Synthesis and testing of (C.sub.5H.sub.14N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (PAP-H4) (general formula ABX.sub.3; A is a 1,4-diazepane-1,4-diium ion; B is NH.sub.4.sup.+; and X is ClO.sub.4.sup.-.)

[0269] Synthesis method: [0270] 1) 5.74 g of perchloric acid solution with the mass percent of 70%-72% was added into 15 mL of water, 2.35 g of ammonium perchlorate was added into the mixed solution while stirring, and the obtained mixed solution was stirred at normal temperature for 5 min; [0271] 2) 2.00 g of homopiperazine was added into 5 mL of water for dissolving; and [0272] 3) the solution obtained in the step 1) was mixed with the solution obtained in the step 2); the obtained mixed solution was stirred for 10 min and was filtered; precipitates were washed by ethanol and then were dried under a vacuum condition, so as to obtain solid powder; and the solid powder was identified as a PAP-H4 pure phase through X-ray powder diffraction, and the yield was 80%.

[0273] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 13.

[0274] Single crystal structure characterization test: detailed crystal determination data is shown in Table 3.

TABLE-US-00003 Crystal determination data of PAP-H4 Complex PAP-H4 Formula C.sub.5H.sub.18Cl.sub.3N.sub.3O.sub.12 Formula weight 418.57 T/K 223(2) λ/Å 0.71073 Crystal system monoclinic Space group P2.sub.1/n a/Å 19.7404(7) b/Å 14.3294(5) c/Å 21.2948(8) β/° 90.075(3) V/Å.sup.3 6023.6(4) Z 16 D.sub.c /g cm.sup.-3 1.846 reflections collected 32844 unique reflections 19613 R.sub.int 0.0487 R.sub.1 [I> 2σ(I)].sup.[a] 0.0795 wR.sub.2 [I> 2σ(I)].sup.[b] 0.1680 R.sub.1 (all data) 0.1417 wR.sub.2 (all data) 0.2062 GOF on F.sup.2 1.045 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0275] Differential thermal analysis (DTA) characterization of PAP-H4: a DTA curve of PAP-H4 is shown as FIG. 14. It can be known from FIG. 14 that the powder-state energetic compound PAP-H4 is decomposed at the peak temperature of decomposition of 348.9° C., the decomposition peak type is sharp, and the decomposition is rapid.

[0276] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-H4 obtained according to density functional theory (DFT): the value of decomposition heat of PAP-H4 (the value of the decomposition enthalpy is ΔH.sub.det) is calculated to be about 1.38 kcal/g by adopting the DFT (J. Am. Chem. Soc. 2012, 134, 1422); and according to a Kamlet-Jacob formula, the detonation velocity of PAP-H4 is calculated to be about 8.76 km/s, and the detonation pressure of PAP-H4 is calculated to be about 34.3 GPa.

[0277] Theoretical specific impulse of energetic compound PAP-H4 calculated by DFT and EXPLO5 software: the enthalpy of formation of PAP-H4 is calculated to be about -600.4 kJ/mol by adopting the DFT (J. Am. Chem. Soc. 2012, 134, 1422), and the enthalpy of formation is substituted into EXPLO5 v.6.04.02 for calculation to obtain that the value of the theoretical specific impulse of PAP-H4 is 255.4 s.

[0278] Volume of gas produced per mole of PAP-H4: a product of complete explosion of an energetic material in an oxygen-free environment is judged according to literatures (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), and final decomposition products are: gaseous substances, such as nitrogen, hydrogen halide, water, carbon dioxide and the like, and solid substances, such as metallic chlorate, a simple substance carbon (if oxygen atoms are not enough to completely translate all carbon atoms into carbon dioxide) and the like. Therefore, after 1 mol of PAP-H4 is completely exploded in the oxygen-free environment, 14.25 mol of gas substances are generated, and 2.75 mol of simple substances carbon are left. Under the condition that an enough oxidizing agent (such as common NH.sub.4ClO.sub.4) is mixed, no residue is left after PAP-H4 is completely exploded.

Example 4

[0279] Synthesis and test of (C.sub.6H.sub.14N.sub.2O)(NH.sub.4)(ClO.sub.4).sub.3 (DAP-04) (general formula ABX.sub.3, where A is 1-hydroxy-1,4-diazabicyclo[2.2.2]octane-1,4-diium, B is NH.sub.4.sup.+ and X is ClO.sub.4.sup.-)

[0280] Synthesis method: [0281] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70-72% was added into 15 mL of water, 2.35 g of ammonium perchlorate was added again while the solution was stirred, and the mixture was stirred for 5 min at normal temperature; [0282] 2) 2.24 g of 1,4-diazabicyclo[2.2.2]octane was slowly added into 5.9 mL of 30% hydrogen peroxide in an ice-water bath, the mixture was stirred for 5 min, then the temperature was recovered to room temperature, and the mixture was stirred for 30 min; and [0283] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a DAP-O4 pure phase through X-ray powder diffraction, with a yield of 85%.

[0284] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 15.

[0285] Single crystal structure characterization test: detailed crystal determination data is shown in Table 4.

TABLE-US-00004 Crystal determination data of the DAP-O4 Complex DAP-04 Formula C.sub.6H.sub.18Cl.sub.3N.sub.3O.sub.13 Formula weight 446.55 T/K 298(2) λ/Å 1.54178 Crystal system Cubic Space group Fm-3c a/Å 14.76270 (10) V/Å.sup.3 3217.34 (7) Z 8 D.sub.c/g cm.sup.-3 1.844 reflections collected 5939 unique reflections 168 R.sub.int 0.0373 R.sub.1[I>2σ(I)].sup.[a] 0.0298 wR.sub.2[I>2σ(I)].sup.[b] 0.0852 R.sub.1 (all data) 0.0306 wR.sub.2 (all data) 0.0860 GOF on F.sup.2 1.151 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0286] Differential thermal analysis (DTA) characterization of DAP-04: a DTA curve of the DAP-04 is shown in FIG. 16. It can be known from FIG. 16 that the energetic compound DAP-04 in a powder state is decomposed at a decomposition peak temperature of 352.0° C., the decomposition peak pattern is sharp, and the energetic compound is decomposed rapidly.

[0287] Detonation heat, detonation pressure and detonation velocity of energetic compound DAP-O4 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the DAP-04 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.48 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the DAP-04 is about 8.90 km/s, and an explosive pressure is about 35.7 GPa.

[0288] Theoretical specific impulse of energetic compound DAP-O4 calculated by DFT and EXPLO5 software: the enthalpy of formation of the DAP-04 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about -436.1 kJ/mol, and the theoretical specific impulse value of the energetic compound DAP-04 calculated by substituting the enthalpy of formation into EXPLO5 v.6.04.02 is 262.4 s.

[0289] Volume of gas produced per mole of DAP-O4: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof are finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (J. Am. Chem. Soc .2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the DAP-04 can generate 14.75 mol of gas substances after complete explosion in the oxygen-free environment with 3.25 mol of elemental carbon left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) are mixed, the DAP-04 is free of solid residues after complete explosion.

Example 5

[0290] Synthesis and test of (C.sub.7H.sub.16N.sub.2)(NH.sub.4)(ClO.sub.4).sub.3 (DAP-M4) (general formula ABX.sub.3, where A is 1-methyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium, B is NH.sub.4.sup.+ and X is ClO.sub.4.sup.-)

[0291] Synthesis method: [0292] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70-72% was added into 15 mL of water, 2.35 g of ammonium perchlorate was added again while the solution was stirred, and the mixture was stirred for 5 min at normal temperature; [0293] 2) 5.08 g of a 1-methyl-1,4-diazabicyclo[2.2.2]octane iodide was added into 5 mL of water to be dissolved; and [0294] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a DAP-M4 pure phase through X-ray powder diffraction, with a yield of 70%.

[0295] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown is shown in FIG. 17.

[0296] Single crystal structure characterization test: detailed crystal determination data is shown in Table 5.

TABLE-US-00005 Crystal determination data of the DAP-M4 Complex DAP-M4 Formula C.sub.7H.sub.20Cl.sub.3N.sub.3O.sub.12 Formula weight 444.61 T/K 223(2) λ/Å 0.71073 Crystal system monoclinic Space group P2.sub.1 a/Å 10.15203 (16) b/Å 10.9824 (2) c/Å 14.7774 (2) β/° 89.8562 (14) V/Å.sup.3 1647.58 (5) Z 4 D.sub.c/g cm.sup.-3 1.792 reflections collected 27589 unique reflections 12392 R.sub.int 0.0324 R.sub.1 > 2σ(I)] .sup.[a] 0.0364 wR.sub.2[I> 2.sub.a(I)].sup.[b] 0.0909 R.sub.1 (all data) 0.0414 wR.sub.2 (all data) 0.0952 GOF on F.sup.2 1.040 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0297] Differential thermal analysis (DTA) characterization of DAP-M4: a DTA curve of the DAP-M4 is shown in FIG. 18. It can be known from FIG. 18 that the energetic compound DAP-M4 in a powder state is decomposed at a decomposition peak temperature of 364.0° C., the decomposition peak pattern is sharp, and the energetic compound is decomposed rapidly.

[0298] Detonation heat, detonation pressure and detonation velocity of energetic compound DAP-M4 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the DAP-M4 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.20 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the DAP-M4 is about 8.08 km/s, and an explosive pressure is about 28.8 GPa.

[0299] Theoretical specific impulse of energetic compound DAP-M4 calculated by DFT and EXPLO5 software: the enthalpy of formation of the DAP-M4 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about -839.1 kJ/mol, and the theoretical specific impulse value of the energetic compound DAP-M4 calculated by substituting the enthalpy of formation into EXPLO5 v.6.04.02 is 225.2 s.

[0300] Volume of gas produced per mole of DAP-M4: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof are finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (. Am. Chem. Soc.2012, 134, 1422;J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the DAP-M4 can generate 14.75 mol of gas substances after complete explosion in the oxygen-free environment with 5.25 mol of elemental carbon left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) are mixed, the DAP-M4 is free of solid residues after complete explosion.

Example 6

[0301] Synthesis and test of (C.sub.4H.sub.12N.sub.2)[Ag(ClO.sub.4).sub.3] (PAP-5) (general formula ABX.sub.3, where A is piperazine-1,4-diium, B is Ag.sup.+ and X is ClO.sub.4.sup.-)

[0302] Synthesis method: [0303] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70-72% was added into 5 mL of water, 4.14 g of silver perchlorate was added again while the solution was stirred, and the mixture was stirred for 5 min at normal temperature; [0304] 2) 2.19 g of piperazine was added into 5 mL of water to be dissolved; and [0305] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a PAP-5 pure phase through X-ray powder diffraction, with a yield of 75%.

[0306] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 19.

[0307] Single crystal structure characterization test: detailed crystal determination data is shown in Table 6.

TABLE-US-00006 Crystal determination data of the PAP-5 Complex PAP-5 Formula C.sub.4H.sub.12AgCl.sub.3N.sub.2O.sub.12 Formula weight 494.38 T/K 223(2) λ/Å 0.71073 Crystal system Monoclinic Space group P2.sub.1/c a/Å 10.1221 (2) b/Å 9.6470 (2) c/Å 13.2672 (3) β/° 91.7815 (19) V/Å.sup.3 1294.89 (5) Z 4 D.sub.c/g cm.sup.-3 2.536 reflections collected 16140 unique reflections 3744 R.sub.int 0.0544 R.sub.1 > 2σ(I)] .sup.[a] 0.0301 wR.sub.2[I> 2.sub.a(I)].sup.[b] 0.0692 R.sub.1 (all data) 0.0329 wR.sub.2 (all data) 0.0715 GOF on F.sup.2 1.026 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0308] Differential thermal analysis (DTA) characterization of PAP-5: a DTA curve of the PAP-5 is shown in FIG. 20. It can be known from FIG. 20 that the energetic compound PAP-5 in a powder state is decomposed at a decomposition peak temperature of 341.6° C., the decomposition peak pattern is sharp, and the energetic compound is decomposed rapidly.

[0309] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-5 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the PAP-5 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.17 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the PAP-5 is about 8.96 km/s, and an explosive pressure is about 42.4 GPa.

[0310] Volume of gas produced per mole of PAP-5: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof are finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (J. Am. Chem. Soc .2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the PAP-5 can generate 11.5 mol of gas substances after complete explosion in the oxygen-free environment with 0.5 mol of elemental carbon and 1 mol of a silver chloride solid left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) are mixed, there is 1 mol of the silver chloride solid after complete explosion of 1 mol of PAP-5.

Example 7

[0311] Synthesis and test of (C.sub.5H.sub.14N.sub.2)[Ag(ClO.sub.4).sub.3] (PAP-M5) (general formula ABX.sub.3, where A is 1-methyl piperazine-1,4-diium, B is Ag.sup.+ and X is ClO.sub.4.sup.-)

[0312] Synthesis method: [0313] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70-72% was added into 2 mL of water, 4.14 g of silver perchlorate was added again while the solution was stirred, and the mixture was stirred for 5 min at normal temperature; [0314] 2) 2.00 g of 1-methyl piperazine was added into 2 mL of water to be dissolved; and [0315] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a PAP-M5 pure phase through X-ray powder diffraction, with a yield of 75%.

[0316] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 21.

[0317] Single crystal structure characterization test: detailed crystal determination data is shown in Table 7.

TABLE-US-00007 Crystal determination data of the PAP-M5 Complex PAP-M5 Formula C.sub.5H.sub.14AgCl.sub.3N.sub.3O.sub.12 Formula weight 508.4 T/K 298(2) λ/Å 1.54184 Crystal system Orthorhombic Space group Pnma a/Å 10.1827 (3) b/Å 13.8975 (4) c/Å 20.2734 (5) V/Å.sup.3 2868.97 (14) Z 8 D.sub.c/g cm.sup.-3 2.354 reflections collected 18231 unique reflections 3122 R.sub.int 0.0574 R.sub.1 > 2σ(I)].sup.[a] 0.1003 wR.sub.2[I> 2.sub.a(I)].sup.[b] 0.3118 R.sub.1 (all data) 0.1100 wR.sub.2 (all data) 0.3259 GOF on F.sup.2 1.178 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0318] Differential thermal analysis (DTA) characterization of PAP-M5: a DTA curve of the PAP-M5 is shown in FIG. 22. It can be known from FIG. 22 that the energetic compound PAP-M5 in a powder state is decomposed at a decomposition peak temperature of 308.3° C., the decomposition peak pattern is sharp, and the energetic compound is decomposed rapidly.

[0319] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-M5 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the PAP-M5 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.29 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the PAP-M5 is about 8.73 km/s, and an explosive pressure is about 39.2 GPa.

[0320] Volume of gas produced per mole of PAP-M5: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof are finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (J. Am. Chem. Soc .2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the PAP-M5 can generate 12 mol of gas substances after complete explosion in the oxygen-free environment with 2 mol of elemental carbon and 1 mol of a silver chloride solid left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) are mixed, there is 1 mol of the silver chloride solid after complete explosion of 1 mol of PAP-M5.

Example 8

[0321] Synthesis and test of (C.sub.5H.sub.14N.sub.2) [Ag(ClO.sub.4).sub.3] (PAP-H5) (general formula ABX.sub.3, where A is 1,4-diazepane-1,4-diium, B is Ag.sup.+ and X is ClO.sub.4.sup.-)

[0322] Synthesis method: [0323] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70-72% was added into 2 mL of water, 4.14 g of silver perchlorate was added again while the solution was stirred, and the mixture was stirred for 5 min at normal temperature; [0324] 2) 2.00 g of homopiperazine was added into 2 mL of water to be dissolved; and [0325] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a PAP-H5 pure phase through X-ray powder diffraction, with a yield of 75%.

[0326] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 23.

[0327] Single crystal structure characterization test: detailed crystal determination data is shown in Table 8.

TABLE-US-00008 Crystal determination data of the PAP-H5 Complex PAP-H5 Formula C.sub.5H.sub.14AgCl.sub.3N.sub.3O.sub.12 Formula weight 508.4 T/K 298(2) λ/Å 1.54184 Crystal system Monoclinic Space group P2.sub.1/n a/Å 10.7045 (2) b/Å 8.60470 (10) c/Å 15.6254 (3) β/° 90.345 (2) V/Å.sup.3 1439.21 (4) Z 4 D.sub.c/g cm.sup.-3 2.346 reflections collected 12166 unique reflections 2977 R.sub.int 0.0401 R.sub.1[I>2σ(I)] .sup.[a] 0.0419 wR.sub.2[I> 2.sub.a(I)].sup.[b] 0.1142 R.sub.1 (all data) 0.0447 wR.sub.2 (all data) 0.1237 GOF on F.sup.2 1.091 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0328] Differential thermal analysis (DTA) characterization of PAP-H5: a DTA curve of the PAP-H5 is shown in FIG. 24. It can be known from FIG. 24 that the energetic compound PAP-H5 in a powder state is decomposed at a decomposition peak temperature of 328.7° C., the decomposition peak pattern is sharp, and the energetic compound is decomposed rapidly.

[0329] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-H5 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the PAP-H5 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.28 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the PAP-H5 is about 8.69 km/s, and an explosive pressure is about 38.7 GPa.

[0330] Volume of gas produced per mole of PAP-H5: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof are finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (J. Am. Chem. Soc .2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the PAP-H5 can generate 12 mol of gas substances after complete explosion in the oxygen-free environment with 2 mol of elemental carbon and 1 mol of a silver chloride solid left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) are mixed, there is 1 mol of the silver chloride solid after complete explosion of 1 mol of PAP-H5.

Example 9

[0331] Synthesis and test of (C.sub.6H.sub.14N.sub.2)[Ag(ClO.sub.4).sub.3] (DAP-5) (general formula ABX.sub.3, where A is 1,4-diazabicyclo[2.2.2]octane-1,4-diium, B is Ag.sup.+ and X is ClO.sub.4.sup.-)

[0332] Synthesis method: [0333] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70-72% was added into 5 mL of water, 4.14 g of silver perchlorate was added again while the solution was stirred, and the mixture was stirred for 5 min at normal temperature; [0334] 2) 2.24 g of 1,4-diazabicyclo[2.2.2]octane was added into 5 mL of water to be dissolved; and [0335] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a DAP-5 pure phase through X-ray powder diffraction, with a yield of 90%.

[0336] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 25.

[0337] Single crystal structure characterization test: detailed crystal determination data is shown in Table 9.

TABLE-US-00009 Crystal determination data of the DAP-5 Complex DAP-5 Formula C.sub.6H.sub.14AgCl.sub.3N.sub.3O.sub.12 Formula weight 520.41 T/K 223(2) λ/Å 0.71073 Crystal system Cubic Space group Pa-3 a/Å 14.1379 (3) V/Å.sup.3 2825.86 (16) Z 8 D.sub.c/g cm.sup.-3 2.446 reflections collected 14902 unique reflections 929 R.sub.int 0.0677 R.sub.1[I> 2σ(I)] .sup.[a] 0.0212 wR.sub.2[I> 2.sub.a(I)].sup.[b] 0.0583 R.sub.1 (all data) 0.0226 wR.sub.2 (all data) 0.0595 GOF on F.sup.2 1.110 .sup.[a] R.sub.1 = Σ||F.sub.o| - |Fc||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0338] Differential thermal analysis (DTA) characterization of DAP-5: a DTA curve of the DAP-5 is shown in FIG. 26. It can be known from FIG. 26 that the energetic compound DAP-5 in a powder state is decomposed at a decomposition peak temperature of 313.7° C., the decomposition peak pattern is sharp, and the energetic compound is decomposed rapidly.

[0339] Detonation heat, detonation pressure and detonation velocity of energetic compound DAP-5 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the DAP-5 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.14 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the DAP-5 is about 8.59 km/s, and an explosive pressure is about 38.5 GPa.

[0340] Volume of gas produced per mole of DAP-5: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof are finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (J. Am. Chem. Soc .2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the DAP-5 could generate 12 mol of gas substances after complete explosion in the oxygen-free environment with 3 mol of elemental carbon and 1 mol of a silver chloride solid left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) are mixed, there is 1 mol of the silver chloride solid after complete explosion of 1 mol of DAP-5.

Example 10

[0341] Synthesis and test of (C.sub.4H.sub.12N.sub.2)[K(ClO.sub.4).sub.3] (PAP-2) (general formula ABX.sub.3, where A is piperazine-1,4-diium, B is K.sup.+ and X is ClO.sub.4.sup.-)

[0342] Synthesis method: [0343] 1) 1.72 g of piperazine and 0.25 g of homopiperazine was added into 5 mL of water to be dissolved, 8.61 g of a perchloric acid solution with a mass fraction of 70-72% was added, and the mixture was stirred for 5 min at normal temperature; [0344] 2) 2.77 g of potassium perchlorate was added to 5 mL of water and heated and stirred to dissolve; and [0345] 3) the solutions in step 1) and step 2) were mixed, stirred for 30 min and filtered, a precipitate was washed with ethanol, and the precipitate was subjected to vacuum drying to obtain a solid powder which was identified as a PAP-2 pure phase through X-ray powder diffraction, with a yield of 70%.

[0346] Single crystal structure characterization test: detailed crystal determination data is shown in Table 10.

TABLE-US-00010 Crystal determination data of the PAP-2 Complex PAP-2 Formula C.sub.4H.sub.12KCl.sub.3N.sub.2O.sub.12 Formula weight 425.61 T/K 284 (17) λ/Å 1.54178 Crystal system Orthorhombic Space group Pbcm a/Å 10.3353 (6) b/Å 9.6777 (6) c/Å 13.9862 (10) V/Å.sup.3 1398.93 (16) Z 4 D.sub.c/g cm.sup.-3 2.021 reflections collected 7003 unique reflections 1317 R.sub.int 0.0715 R.sub.1[I> 2σ(I)].sup.[a] 0.0704 wR.sub.2 [I> 2σ(I)].sup.[b] 0.1849 R.sub.1 (all data) 0.0804 wR.sub.2 (all data) 0.1998 GOF on F.sup.2 1.056 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0347] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-2 obtained according to density functional theory (DFT): a decomposition heat value (decomposition enthalpy value ΔH.sub.det) of the PAP-2 calculated (J. Am. Chem. Soc. 2012, 134, 1422) based on the DFT is about 1.29 kcal/g, and calculated according to a Kamlet-Jacob formula, an explosive velocity of the PAP-2 is about 8.78 km/s, and an explosive pressure is about 36.6 GPa.

[0348] Volume of gas produced per mole of PAP-2: with respect to judgment on products due to complete explosion of the energetic material in an oxygen-free environment, decomposition products thereof were finally gaseous substances such as nitrogen, halogen hydride, water and carbon dioxide, and solid substances such as chlorates of metals and elemental carbon (in a case that oxygen atoms are not enough to convert all carbon atoms completely into carbon dioxide) according to literatures (J. Am. Chem. Soc .2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141). Therefore, 1 mol of the PAP-2 could generate 11.5 mol of gas substances after complete explosion in the oxygen-free environment with 0.5 mol of elemental carbon and 1 mol of a potassium chloride solid left. Under a condition that enough oxidants (for example, common NH.sub.4ClO.sub.4) were mixed, there was 1 mol of the potassium chloride solid after complete explosion of 1 mol of PAP-2.

Example 11

[0349] Synthesis and test of (C.sub.5H.sub.14N.sub.2)[K(ClO.sub.4).sub.3] (PAP-H2) (general formula ABX.sub.3, A is 1,4-diazepane-1,4-diium, B is K.sup.+, and X is ClO.sub.4.sup.-)

[0350] Synthesis method: [0351] 1) 2.00 g of homopiperazine was dissolved in 5 mL of water, and 8.61 g of a perchloric acid solution with a mass fraction of 70%-72% was added and stirred at a room temperature for 5 min; [0352] 2) 2.77 g of potassium perchlorate was added to 5 mL of water and heated and stirred to dissolve; and [0353] 3) the solutions in step 1) and step 2) were mixed, stirred for 30 min and filtered, and precipitates were washed with ethanol and dried in vacuum to obtain solid powder which was identified as a pure phase of PAP-H2 by X-ray powder diffraction and has the yield of 80%.

[0354] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 27.

[0355] Single crystal structure characterization test: detailed crystal determination data is shown in Table 11.

TABLE-US-00011 Crystal measurement data of PAP-H2 Complex PAP-H2 Formula C.sub.5H.sub.14Cl.sub.3KN.sub.2O.sub.12 Formula weight 439.63 T/K 298(2) λ/Å 1.54184 Crystal system orthorhombic Space group Pbca a/Å 9.6351(3) b/Å 14.7473(4) c/Å 20.9607(8) V/Å.sup.3 2978.34(17) Z 8 D.sub.c/g cm.sup.-3 1.961 reflections collected 12436 unique reflections 3028 R.sub.int 0.0535 R.sub.1 [I> 2σ(I)] .sup.[a] 0.0492 wR.sub.2 [I > 2σ(I)].sup.[b] 0.1342 R.sub.1 (all data) 0.0563 wR.sub.2 (all data) 0.1469 GOF on F.sup.2 1.073 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.1/.sup.2;

[0356] Differential thermal analysis (DTA) characterization of PAP-H2: a DTA curve of PAP-H2 is shown in FIG. 28. It can be seen from FIG. 28 that the powdery energetic compound PAP-H2 decomposes at the decomposition peak temperature of 367.4° C., the shape of the decomposition peak is sharp, and the decomposition is rapid.

[0357] Impact sensitivity and friction sensitivity of PAP-H2: according to the impact and friction test methods developed by the Federal Institute for Materials Research and Testing (BAM), the impact sensitivity of PAP-H2 is 27.5 J, and the friction sensitivity of PAP-H2 is 7 N.

[0358] Detonation heat, detonation pressure and detonation velocity of energetic compound PAP-H2 obtained according to density functional theory (DFT): according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔH.sub.det) of PAP-H2 is calculated to be about 1.27 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of PAP-5 is calculated to be about 8.17 km/s, and the detonation pressure is calculated to be about 31.1 GPa.

[0359] Volume of gas produced per mole of PAP-H2: regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A. 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are: gaseous substances such as nitrogen, hydrogen halide, water and carbon dioxide, and solid substances such as chloride salts of metals and elemental carbon (if oxygen atoms are not sufficient to completely convert all carbon atoms into carbon dioxide). Therefore, after complete detonation of 1 mole of PAP-H2 in an oxygen-free environment, 12 moles of gaseous substances can be produced, and 2 moles of elemental carbon and 1 mole of potassium chloride solids remain. In the case of mixing sufficient oxidant (such as commonly used NH.sub.4ClO.sub.4), after complete detonation of 1 mole of PAP-H2, 1 mole of potassium chloride solids remain.

Example 12

[0360] Synthesis and test of (C.sub.6H.sub.14N.sub.2)(NH.sub.3OH)(ClO.sub.4).sub.3 (DAP-6) (general formula ABX.sub.3, A is 1,4-diazabicyclo[2.2.2]octane-1,4-diium, B is NH.sub.3OH.sup.+, and X is ClO.sub.4.sup.-)

[0361] Synthesis method: [0362] 1) 5.74 g of a perchloric acid solution with a mass fraction of 70%-72% was added to 5 mL of water, and then, 1.32 g of a hydroxylamine solution with a mass fraction of 50% was added while stirring and stirred at a room temperature for 5 min; [0363] 2) 2.24 g of 1,4-diazabicyclo[2.2.2]octane was dissolved in 5 mL of water; and [0364] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, and precipitates were washed with n-butanol and dried in vacuum to obtain solid powder which was identified as a pure phase of DAP-6 by X-ray powder diffraction and has the yield of 80%.

[0365] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 29.

[0366] Single crystal structure characterization test: the schematic diagram of a crystal structure is shown in FIG. 5. As can be seen in FIG. 5, there are six ClO.sub.4.sup.- ions at the X site around the NH.sub.3OH.sup.+ ion at the B site to form a squashed octahedron, adjacent NH.sub.3OH.sup.+ ions are connected by three .Math..sub.2-ClO.sub.4.sup.- ions to form a one-dimensional chain in a b-axis direction, and the organic cation 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H.sub.2dabco.sup.2+) cation at the A site fills the interchain. Detailed crystal measurement data are shown in Table 12.

TABLE-US-00012 Crystal measurement data of DAP-6 Complex DAP-6 Formula C.sub.6H.sub.18Cl.sub.3N.sub.3O.sub.13 Formula weight 446.58 T/K 223(2) λ/Å 1.54184 Crystal system monoclinic Space group P2.sub.1 a/Å 20.740(1) b/Å 8.2366(2) c/Å 20.790(1) β/° 119.65(1) V/Å.sup.3 3086.4(3) Z 8 D.sub.c/g cm.sup.-3 1.922 reflections collected 21302 unique reflections 11111 R.sub.int 0.0490 R.sub.1 [I > 2σ(I)] .sup.[a] 0.0765 wR.sub.2 [I > 2σ(I)].sup.[b] 0.1965 R.sub.1 (all data) 0.0773 wR.sub.2 (all data) 0.1975 GOF on F.sup.2 1.043 Completeness 1.00 .sup.[a] R.sub.1 = Σ||F.sub.o| |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0367] Differential thermal analysis (DTA) characterization of DAP-6: A DTA curve of DAP-6 is shown in FIG. 30. It can be seen from FIG. 30 that the decomposition peak temperature of the powdery energetic compound DAP-6 is 246.1° C., and the shape of the decomposition peak is sharp, indicating that the decomposition process is very rapid.

[0368] Detonation heat, detonation pressure and detonation velocity of energetic compound DAP-6 obtained according to density functional theory (DFT): according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔH.sub.det) of DAP-6 is calculated to be about 1.52 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of DAP-6 is calculated to be about 9.12 km/s, and the detonation pressure is calculated to be about 38.1 GPa.

[0369] Theoretical specific impulse of energetic compound DAP-6 calculated by DFT and EXPLO5 software: according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the enthalpy of formation of DAP-6 is calculated to be about -373.7 kJ/mol, and the enthalpy of formation is substituted into EXPLO5 v.6.04.02 to calculate the theoretical specific impulse of DAP-6 to be 265.3 s.

[0370] Oxygen balance parameter and volume of gas produced per mole of DAP-6: for the oxygen balance obtained based on CO.sub.2 product calculation, that is, for the molecular formula C.sub.aH.sub.bN.sub.cCl.sub.dO.sub.e, the oxygen balance parameter is OB[%] = 1600[e - 2a - (b - d)/2]/MW, wherein MW is the relative molecular mass of the molecule; and the oxygen balance parameter of DAP-6 is calculated to be -23.3%. Regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are: gaseous substances such as nitrogen, hydrogen halide, water and carbon dioxide, and solid substances such as elemental carbon (if oxygen atoms are not sufficient to completely convert all carbon atoms into carbon dioxide). Therefore, after complete detonation of 1 mole of DAP-6 in an oxygen-free environment, 14.75 moles of gaseous substances can be produced, and 3.25 moles of elemental carbon remains. In the case of mixing sufficient oxidant (such as commonly used NH.sub.4ClO.sub.4), after complete detonation of DAP-6, no solid remains.

Example 13

[0371] Synthesis and test of (C.sub.6H.sub.14N.sub.2)(NH.sub.3NH.sub.2)(ClO.sub.4).sub.3 (DAP-7) (general formula ABX.sub.3, A is a 1,4-diazabicyclo[2.2.2]octane-1,4-diium, B is NH.sub.2NH.sub.3.sup.+, and X is ClO.sub.4.sup.-)

[0372] Synthesis method: [0373] 1)2.24 g of 1,4-diazabicyclo[2.2.2]octane was dissolved in 5 mL of water, and 5.74 g of a perchloric acid solution with a mass fraction of 70%-72% was added while stirring and stirred at a room temperature for 5 min; and [0374] 2)1.02 g of hydrazine hydrate liquid was added while stirring, stirred for 10 min and filtered, and precipitates were washed with ethanol and dried in vacuum to obtain solid powder which was identified as a pure phase of DAP-7 by X-ray powder diffraction and has the yield of 90%.

[0375] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 31.

[0376] Single crystal structure characterization test: the schematic diagram of a crystal structure is shown in FIG. 6. As can be seen in FIG. 6, there are six ClO.sub.4.sup.- ions at the X site around the NH.sub.2NH.sub.3.sup.+ ion at the B site to form a squashed octahedron, adjacent NH.sub.2NH.sub.3.sup.+ ions are connected by three .Math..sub.2-ClO.sub.4.sup.- ions to form a one-dimensional chain in a b-axis direction, and the organic cation 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H.sub.2dabco.sup.2+) cation at the A site fills the interchain. Detailed crystal measurement data are shown in Table 13.

TABLE-US-00013 Crystal measurement data of DAP-7 Complex DAP-7 Formula C.sub.6H.sub.19Cl.sub.3N.sub.4O.sub.12 Formula weight 445.60 T/K 223(2) λ/Å 1.54178 Crystal system monoclinic Space group P2.sub.1/m a/Å 10.378(2) b/Å 8.0505(7) c/Å 10.587(2) β/° 117.99 (2) V/Å.sup.3 781.0(2) Z 2 D.sub.c/g cm.sup.-3 1.895 reflections collected 2680 unique reflections 1604 R.sub.int 0.0326 R.sub.1 [I > 2σ(I)].sup.[a] 0.0620 wR.sub.2 [I> 2σ(I)].sup.[b] 0.16.94 R.sub.1 (all data) 0.0638 wR.sub.2 (all data) 0.1704 GOF on F.sup.2 1.124 Completeness 0.99 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0377] Differential thermal analysis (DTA) characterization of DAP-7: A DTA curve of DAP-7 is shown in FIG. 32. It can be seen from FIG. 32 that the decomposition peak temperature of the powdery energetic compound DAP-7 is 376.1° C., and the shape of the decomposition peak is sharp, indicating that the decomposition process is very rapid.

[0378] Detonation heat, detonation pressure and detonation velocity of energetic compound DAP-7 obtained according to density functional theory (DFT): according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔH.sub.det) of DAP-7 is calculated to be about 1.43 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of DAP-7 is calculated to be about 8.88 km/s, and the detonation pressure is calculated to be about 35.8 GPa.

[0379] Theoretical specific impulse of energetic compound DAP-7 calculated by DFT and EXPLO5 software: according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the enthalpy of formation of DAP-7 is calculated to be about -362.1 kJ/mol, and the enthalpy of formation is substituted into EXPLO5 v.6.04.02 to calculate the theoretical specific impulse of DAP-7 to be 256.9 s.

[0380] Oxygen balance parameter and volume of gas produced per mole of DAP-7: for the oxygen balance obtained based on CO.sub.2 product calculation, that is, for the molecular formula C.sub.aH.sub.bN.sub.cCl.sub.dO.sub.e, the oxygen balance parameter is OB[%] = 1600[e - 2a - (b - d)/2]/MW, wherein MW is the relative molecular mass of the molecule; and the oxygen balance parameter of DAP-7 is calculated to be -28.7%. Regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are: gaseous substances such as nitrogen, hydrogen halide, water and carbon dioxide, and solid substances such as elemental carbon (if oxygen atoms are not sufficient to completely convert all carbon atoms into carbon dioxide). Therefore, after complete detonation of 1 mole of DAP-7 in an oxygen-free environment, 15 moles of gaseous substances can be produced, and 4 moles of elemental carbon remains. In the case of mixing sufficient oxidant (such as commonly used NH.sub.4ClO.sub.4), after complete detonation of DAP-7, no solid remains.

Example 14

[0381] Synthesis and testing of (H.sub.2EA).sub.2(NH.sub.4)(ClO.sub.4).sub.5(EAP) (general formula B′.sub.2A′X.sub.5, A′ is NH.sub.4.sup.+, B is ethylenediammonium cation H.sub.2EA.sub.2.sup.2+, and X is ClO.sub.4.sup.-)

[0382] Synthesis method: [0383] 1) 7.14 g of a perchloric acid solution with a mass fraction of 70%-72% was added to 1 mL of water and stirred uniformly; [0384] 2) 1.20 g of ethylenediamine was added to 4 mL of water and stirred uniformly; and [0385] 3) the solutions in step 1) and step 2) were mixed and stirred for 10 min, then 1.4 g of an aqueous ammonia solution with a mass fraction of 25% was added while stirring, stirred for 30 min and filtered, and precipitates were washed with acetone and dried in vacuum to obtain solid powder which was identified as a pure phase of EAP by X-ray powder diffraction and has the yield of 80%.

[0386] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 33.

Single Crystal Structure Characterization Test

[0387] The schematic diagram of a crystal structure is shown in FIG. 8. As can be seen in FIG. 8, adjacent NH.sub.4.sup.+ ions are connected to form a diamond mesh structure with a side length of 7.205 Å, there are two kinds of perchlorates in the independent unit of the structure, adjacent Cl1 (from ClO.sub.4.sup.-) ions in one of the perchlorates are also connected to form a diamond mesh structure with a side length of 7.205 Å, two sets of diamond meshes are interspersed with each other, there are 6 ethylenediammonium cations around each NH.sub.4.sup.+ ion and Cl1 to form an octahedral structure, three octahedrons are connected by a .Math..sub.3-ethylenediammonium cation, and the other perchlorate (Cl2) is located among the three octahedrons. Detailed crystal measurement data are shown in Table 14.

TABLE-US-00014 Crystal measurement data of EAP Complex EAP Formula C.sub.4H.sub.24Cl.sub.5N.sub.5O.sub.20 Formula weight 639.53 T/K 298(2) λ/Å 1.54184 Crystal system tetragonal Space group I4.sub.1/α a/Å 10.7731(1) c/Å 19.1420(3) V/Å.sub.3 2221.61(5) Z 4 D.sub.c/g cm.sup.-3 1.912 reflections collected 6645 unique reflections 1151 Rint 0.0461 R.sub.1 [I > 2σ(I)].sup.[a] 0.0463 wR.sub.2 [I> 2σ(I)].sup.[b] 0.1161 R.sub.1 (all data) 0.0467 wR.sub.2 (all data) 0.1164 GOF on F.sup.2 1.191 Completeness 0.94 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0388] Differential thermal analysis (DTA) characterization of EAP: a DTA curve of EAP is shown in FIG. 34. It can be seen from FIG. 34 that the powdery energetic compound EAP has two decomposition exothermic peaks, and the peak temperatures are 304.2° C. and 376.0° C. respectively.

[0389] Detonation heat, detonation pressure and detonation velocity of energetic compound EAP obtained according to density functional theory (DFT): According to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔHdet) of EAP is calculated to be about 1.21 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of EAP is calculated to be about 8.97 km/s, and the detonation pressure is calculated to be about 37.0 GPa.

[0390] Volume of gas produced per mole of EAP: regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are all gaseous products: gaseous substances such as nitrogen, hydrogen halide, water, carbon dioxide and oxygen. Therefore, after complete detonation of 1 mole of EAP in an oxygen-free environment, 22.25 moles of gaseous substances can be produced.

Example 15

[0391] Synthesis and test of (C.sub.4H.sub.12N.sub.2)(H.sub.2EA)(ClO.sub.4).sub.4(PEP) (general formula AB′X.sub.4, A is piperazine-1,4-diium, B is ethylenediammonium cation H.sub.2EA.sub.2.sup.2+, and X is ClO.sub.4.sup.-)

[0392] Synthesis method: [0393] 1) 11.43 g of a perchloric acid solution with a mass fraction of 70%-72% was added to 15 mL of water, and 1.20 g of ethylenediamine was added while stirring and stirred at a room temperature for 5 min; [0394] 2) 1.72 g of anhydrous piperazine was dissolved in 5 mL of water; and [0395] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, and precipitates were washed with ethanol and dried in vacuum to obtain solid powder which was identified as a pure phase of PEP by X-ray powder diffraction and has the yield of 85%.

[0396] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 35.

[0397] Single crystal structure characterization test: the schematic diagram of a crystal structure is shown in FIG. 7. There are ten ClO.sub.4.sup.- ions around each H.sub.2EA.sup.2+ ion to form an irregular dodecahedron (as shown in FIG. 7a), adjacent H.sub.2EA.sup.2+ ions are connected by four .Math..sub.4-ClO.sub.4.sup.- ions and six .Math..sub.2-ClO.sub.4.sup.- ions to form a layered structure in b-axis and c-axis directions (as shown in FIG. 7b), and piperazine cations and perchlorate anions are arranged alternately between two adjacent layers (as shown in FIG. 7c). Detailed crystal measurement data are shown in Table 15.

TABLE-US-00015 Crystal measurement data of PEP Complex PEP Formula C.sub.6H.sub.22Cl.sub.4N.sub.4O.sub.16 Formula weight 548.07 T/K 298(2) λ/Å 1.54184 Crystal system orthorhombic Space group Pbca a/Å 23.9304(2) b/Å 10.3226(1) c/Å 31.4590(4) β/° 90 V/Å.sub.3 7771.12(15) Z 16 D.sub.c/g cm.sup.-3 1.874 reflections collected 48851 unique reflections 8137 Rint 0.0545 R.sub.1 [I > 2σ(I)] .sup.[a] 0.0479 wR.sub.2 [I > 2σ(I)].sup.[b] 0.1386 R.sub.1 (all data) 0.0559 wR.sub.2 (all data) 0.1454 GOF on F.sup.2 1.046 Completeness 1.00 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0398] Differential thermal analysis (DTA) characterization of PEP: a DTA curve of PEP is shown in FIG. 36. It can be seen from FIG. 36 that the powdery energetic compound PEP decomposes at the decomposition peak temperature of 311.6° C., the shape of the decomposition peak is sharp, and the decomposition is rapid. Subsequently, there are two sustained slow decompositions with the peak temperatures of 336.1° C. and 391.7° C. respectively.

[0399] Detonation heat, detonation pressure and detonation velocity of energetic compound PEP obtained according to density functional theory (DFT): according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔHdet) of PEP is calculated to be about 1.46 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of PEP is calculated to be about 9.09 km/s, and the detonation pressure is calculated to be about 37.6 GPa.

[0400] Volume of gas produced per mole of PEP: regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are: gaseous substances such as nitrogen, hydrogen halide, water and carbon dioxide, and solid substances such as elemental carbon (if oxygen atoms are not sufficient to completely convert all carbon atoms into carbon dioxide). Therefore, after complete detonation of 1 mole of PEP in an oxygen-free environment, 18.5 moles of gaseous substances can be produced, and 2.5 moles of elemental carbon remains. In the case of mixing sufficient oxidant, after complete detonation of PEP, no solid remains.

Example 16

[0401] Synthesis and test of (C.sub.5H.sub.14N.sub.2)(H.sub.2EA)(ClO.sub.4).sub.4(MPEP) (general formula AB′X.sub.4, A is 1-methylpiperazine-1,4-diium B is ethylenediammonium cation H.sub.2EA.sub.2.sup.2+, and X is ClO.sub.4.sup.-)

[0402] Synthesis method: [0403] 1) 11.43 g of a perchloric acid solution with a mass fraction of 70%-72% was added to 15 mL of water, and 1.20 g of ethylenediamine was added while stirring and stirred at a room temperature for 5 min; [0404] 2) 2.00 g of 1-methylpiperazine was dissolved in 5 mL of water; and [0405] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, and precipitates were washed with ethanol and dried in vacuum to obtain solid powder which was identified as a pure phase of MPEP by X-ray powder diffraction and has the yield of 80%.

[0406] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 37.

[0407] Single crystal structure characterization test: detailed crystal measurement data are shown in Table 16.

TABLE-US-00016 Crystal measurement data of MPEP Complex MPEP Formula C.sub.7H.sub.24Cl.sub.4N.sub.4O.sub.16 Formula weight 562.10 T/K 298(2) λ/Å 1.54184 Space group P2.sub.1/c a/Å 12.7872(5) b/Å 10.3107(3) c/Å 15.9171(5) β/° 99.987(4) V/Å.sub.3 2066.8(1) Z 4 D.sub.c/g cm.sup.-3 1.806 reflections collected 19174 unique reflections 4203 R.sub.int 0.0687 R.sub.1 [I > 2σ(I)] .sup.[a] 0.1057 wR.sub.2 [I > 2σ(I)].sup.[b] 0.3638 R.sub.1 (all data) 0.1089 wR.sub.2 (all data) 0.3671 GOF on F.sup.2 1.729 Completeness 0.99 .sup.[a] R.sub.1= Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0408] Differential thermal analysis (DTA) characterization of MPEP: a DTA curve of MPEP is shown in FIG. 38. It can be seen from FIG. 38 that the powdery energetic compound MPEP has multiple steps of decompositions and decomposes at the decomposition peak temperature of 299.2° C., and the decomposition is rapid. Subsequently, there are two sustained slow decompositions with the peak temperatures of 322.0° C. and 366.1° C. respectively.

[0409] Detonation heat, detonation pressure and detonation velocity of energetic compound MPEP obtained according to density functional theory (DFT): according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔHdet) of MPEP is calculated to be about 1.40 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of MPEP is calculated to be about 8.73 km/s, and the detonation pressure is calculated to be about 34.0 GPa.

[0410] Volume of gas produced per mole of MPEP: regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are: gaseous substances such as nitrogen, hydrogen halide, water and carbon dioxide, and solid substances such as elemental carbon (if oxygen atoms are not sufficient to completely convert all carbon atoms into carbon dioxide). Therefore, after complete detonation of 1 mole of MPEP in an oxygen-free environment, 19 moles of gaseous substances can be produced, and 4 moles of elemental carbon remains. In the case of mixing sufficient oxidant, after complete detonation of MPEP, no solid remains.

Example 17

[0411] Synthesis and test of (C.sub.5H.sub.14N.sub.2)(H.sub.2EA)(ClO.sub.4).sub.4(HPEP) (general formula AB′X.sub.4, A is 1,4-diazepane-1,4-diium, B is ethylenediammonium cation H.sub.2EA.sub.2.sup.2+, and X is ClO.sub.4.sup.-)

[0412] Synthesis method: [0413] 1) 11.43 g of a perchloric acid solution with a mass fraction of 70%-72% was added to 15 mL of water, and 1.20 g of ethylenediamine was added while stirring and stirred at a room temperature for 5 min; [0414] 2) 2.00 g of homopiperazine was dissolved in 5 mL of water; and [0415] 3) the solutions in step 1) and step 2) were mixed, stirred for 10 min and filtered, and precipitates were washed with ethanol and dried in vacuum to obtain solid powder which was identified as a pure phase of HPEP by X-ray powder diffraction and has the yield of 75%.

[0416] Powder X-ray diffraction identification pattern: a powder X-ray diffraction pattern at room temperature is shown in FIG. 39.

[0417] Single crystal structure characterization test: Detailed crystal measurement data are shown in Table 17.

TABLE-US-00017 Crystal measurement data of HPEP Complex HPEP Formula C.sub.7H.sub.24Cl.sub.4N.sub.4O.sub.16 Formula weight 562.10 T/K 298(2) λ/Å 1.54184 Crystal system monoclinic Space group P2.sub.1/c a/Å 7.8381(3) b/Å 24.9901(8) c/Å 10.4647(4) β/° 93.649(3) V/Å.sub.3 2045.62(13) Z 4 D.sub.c/g cm.sup.-3 1.825 reflections collected 15275 unique reflections 4158 Rint 0.0637 R.sub.1 [I > 2σ(I)] .sup.[a] 0.0862 wR.sub.2 [I > 2σ(I)].sup.[b] 0.2664 R.sub.1 (all data) 0.0990 wR.sub.2 (all data) 0.2864 GOF on F.sup.2 1.083 Completeness 0.99 .sup.[a] R.sub.1 = Σ||F.sub.o| - |F.sub.c||/Σ|F.sub.o|; .sup.[b] wR.sub.2 = {Σw[(F.sub.o).sup.2 - (F.sub.c).sup.2].sup.2/Σw[(F.sub.o).sup.2].sup.2}.sup.½;

[0418] Differential thermal analysis (DTA) characterization of HPEP: a DTA curve of HPEP is shown in FIG. 40. It can be seen from FIG. 40 that the powdery energetic compound HPEP decomposes at the decomposition peak temperature of 324.6° C., and the decomposition is rapid.

[0419] Detonation heat, detonation pressure and detonation velocity of energetic compound HEAP obtained according to density functional theory (DFT): according to the DFT (J. Am. Chem. Soc. 2012, 134, 1422), the decomposition heat (decomposition enthalpy ΔHdet) of HPEP is calculated to be about 1.40 kcal/g, and according to the Kamlet-Jacob formula, the detonation velocity of MPEP is calculated to be about 8.76 km/s, and the detonation pressure is calculated to be about 34.4 GPa.

[0420] Volume of gas produced per mole of HPEP: regarding the product judgment of complete detonation of energetic materials in an oxygen-free environment, according to the literature (J. Am. Chem. Soc. 2012, 134, 1422; J. Phys. Chem. A 2014, 118, 4575; Chem. Eur. J. 2016, 22, 1141), final decomposition products are: gaseous substances such as nitrogen, hydrogen halide, water and carbon dioxide, and solid substances such as elemental carbon (if oxygen atoms are not sufficient to completely convert all carbon atoms into carbon dioxide). Therefore, after complete detonation of 1 mole of HPEP in an oxygen-free environment, 19 moles of gaseous substances can be produced, and 4 moles of elemental carbon remains. In the case of mixing sufficient oxidant, after complete detonation of HPEP, no solid remains.

[0421] Table 18 shows the performance comparison of the compounds of Examples 14-17 (with general formulas of AB′X.sub.4 and B′.sub.2A′X.sub.5) and the comparative example (with a chemical formula of AB′X.sub.4, A is 1,4-diazabicyclo[2.2.2]octane-1,4-diium, B is ethylenediammonium cation H.sub.2EA.sub.2.sup.2+, and X is ClO.sub.4.sup.-).

[0422] ρ represents specific gravity, Q represents detonation heat, D represents detonation velocity, P represents detonation pressure, ΔH.sub.f represents the enthalpy of formation obtained according to the hypothetical detonation reaction by the Hess’s law by inversion, I.sub.sp represents the specific impulse calculated by EXPLO5 v6.04.02 software according to the enthalpy of formation obtained by inversion, and OB represents the oxygen balance obtained based on CO2 calculation. When the molecular formula is C.sub.aH.sub.bN.sub.cCl.sub.dO.sub.e, OB[%] = 1600 [e - 2a - (b - d) / 2] / MW, wherein MW is the relative molecular mass of the molecule.

TABLE-US-00018 Performance comparison of compounds in Examples and Comparative Example Compound ρ (g.Math.cm.sup.-3) Q (kJ.Math.g.sup.-1) D (km.Math.s.sup.-1) P (GPa) ΔH.sub.f (kJ.Math.mol.sup.-1) I.sub.sp (s) OB (%) Example 14 1.91 .sup.a) 5.07 9.024 37.6 -1145.67 249.1 6.25 Example 15 1.88 .sup.a) 6.10 9.090 37.6 -625.74 264.2 -14.6 Example 16 1.82 .sup.b) 5.86 8.729 34.0 -721.37 256.4 -22.8 Example 17 1.83 .sup.b) 5.87 8.764 34.4 -715.75 256.8 -22.8 Comparative Example 1.87 .sup.a) 6.03 8.867 35.7 -541.05 257.6 -27.8 It can be seen from the above examples that:

[0423] 1) Compared with Comparative Example, the oxygen balance of Examples 14, 15, 16 and 17 of this application is closer to zero oxygen balance. In particular, the oxygen balance parameter of Example 14 is positive, meaning that it can be used as an oxidant ingredient in various formulations. [0424] 2) Compared with Comparative Example, Example 15 has a similar (slightly higher) density, but has better performances such as higher detonation heat, detonation velocity, detonation pressure and specific impulse. [0425] 3) Compared with Comparative Example, the oxygen balance and density of Example 14 are significantly higher, and better technical effects are reflected in performance indexes such as detonation velocity and detonation pressure.

[0426] The above implementations are only preferred implementations of this application, and cannot be used to limit the scope of protection of this application. Any insubstantial changes and replacements made by those skilled in the art on the basis of this application fall within the scope of protection claimed in this application.