Energetic metal complex and method for synthesizing the same

Abstract

The application discloses an energetic metal complex and a synthesis method thereof, and the method is characterized by the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole, rubidium nitrate and nitric acid being 1:1:1-6, after the feeding is completed, the reaction system is heated to 25-100 DEG C to react, and the reaction time is 0.5-4 hours. After the reaction is completed, the reaction system is cooled to room temperature, filtered, washed and dried to obtain the energetic metal complex [TATT][Rb](NO3)3. The triazol ring with high nitrogen content is selected as a basic skeleton, and the metal complex is obtained by further reacting with the rubidium nitrate and the nitric acid, the single crystal density of the metal complex at normal temperature reaches 2.078 g / cm 3 , the thermal stability reaches 230 DEG C, the electronic density is as high as 4.6419*10 21 / m 3 , the electronic temperature reaches 0.58683 eV, and the metal complex has a great application prospect in the direction of plasma explosives.

Description

Technical Field

[0001] This invention belongs to the field of energetic materials and relates to an energetic metal complex and its synthesis method. Background Technology

[0002] Energetic metal complexes are a newly proposed concept and an important branch in the field of energetic materials, demonstrating great application potential in high explosives, propellants, and pyrotechnic formulations. Energetic metal complexes are generally formed by combining a nitrogen-rich energetic framework, inorganic acids, and inorganic metals. Compared with traditional energetic compounds, energetic metal complexes possess unique crystal structures, resulting in varying degrees of improvement in the energy density and stability of the entire molecule, showcasing promising application prospects. Energetic metal complexes have wide applications in plasma, explosive formulations, and pyrotechnics. Summary of the Invention

[0003] The purpose of this invention is to provide an energetic metal complex and its synthesis method.

[0004] In a first aspect, the present invention provides an energetic metal complex ([TATT][Rb](NO3)3), the structure of which is shown below:

[0005]

[0006] Secondly, the present invention provides a method for preparing the energetic metal complex described in the first aspect, comprising the steps of reacting 3-aminomethyl-4,5-diamino-1,2,4-triazole with rubidium nitrate and concentrated nitric acid in water to prepare the target product [TATT][Rb](NO3)3.

[0007]

[0008] Furthermore, the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is 1:1:1 to 6.

[0009] Furthermore, the reaction temperature is 25–100°C, preferably 45–65°C, and more preferably 55–65°C.

[0010] Furthermore, the reaction time is 0.5 to 4 hours, preferably 1.5 to 2.5 hours.

[0011] Thirdly, the present invention provides a crystal prepared from the energetic metal complex described in the first aspect, wherein the crystal has cell parameters a = 13.2604(4), b = 13.6348(3), c = 14.2053(4), α = 90°, β = 90°, γ = 90°, cell volume of 2568.36(12), and space group -Pbca.

[0012] Fourthly, the present invention provides the use of the energetic metal complex described in the first aspect or the crystal described in the third aspect as an explosive.

[0013] Compared with the prior art, the present invention has the following advantages:

[0014] This invention uses a high-nitrogen-content triazole ring as the basic framework, and further reacts it with rubidium nitrate and nitric acid to obtain a metal complex with a single-crystal density of 2.078 g / cm³ at room temperature. 3 It has a thermal stability of 230℃ and an electron density as high as 4.6419 × 10⁻⁶. 21 / m 3 With an electron temperature reaching 0.58683 eV, it has great application potential in the field of plasma explosives. Attached Figure Description

[0015] Figure 1 The proton NMR spectrum of [TATT][Rb](NO3)3;

[0016] Figure 2 The carbon NMR spectrum of [TATT][Rb](NO3)3;

[0017] Figure 3 The diagram shows the single crystal structure of [TATT][Rb](NO3)3. Detailed Implementation

[0018] The present invention will be further described below with reference to the embodiments.

[0019] Example 1:

[0020] 1.28 g (10 mmol) of 3-aminomethyl-4,5-diamino-1,2,4-triazole was added to 20 mL of water, followed by 1.48 g (10 mmol) of rubidium nitrate and 1.85 g (20 mmol) of 68% concentrated nitric acid solution. The mixture was heated to 65 °C and stirred for 2 hours. After cooling, the mixture was filtered, and the residue was washed three times with ethanol. The residue was then dried under vacuum to obtain a white powdery solid [TATT][Rb](NO3)3, with a yield of 91%.

[0021] The proton and carbon spectra of the target product are as follows: Figure 1 and Figure 2 As shown, the data is as follows:

[0022] 1 H NMR (300MHz, DMSO-d6): δ=4.22(s), 6.00(s), 8.33(s), 8.69(s)ppm; 13C NMR (125MHz, DMSO-d6): δ = 32.85, 146.85, 151.95ppm; Elemental analysis for C3H14N7O 12 Cl3 (462.53): C 7.79, H 3.05, N 21.20%; found: C 7.69, H 3.10, N 21.03%.

[0023] Example 2:

[0024] The rest is the same as in Example 1, except that the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is changed from 1:1:2 to 1:1:1, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of about 5%.

[0025] Example 3:

[0026] The rest is the same as in Example 1, except that the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is changed from 1:1:2 to 1:1:3, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of 62%.

[0027] Example 4:

[0028] The rest is the same as in Example 1, except that the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is changed from 1:1:2 to 1:1:4, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of 30%.

[0029] Example 5:

[0030] The rest is the same as in Example 1, except that the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is changed from 1:1:2 to 1:1:5, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of 17%.

[0031] Example 6:

[0032] The rest is the same as in Example 1, except that the molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is changed from 1:1:2 to 1:1:6, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of 6%.

[0033] Example 7:

[0034] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to room temperature, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 10%.

[0035] Example 8:

[0036] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to 35°C, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 33%.

[0037] Example 9:

[0038] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to 45°C, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 59%.

[0039] Example 10:

[0040] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to 55°C, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 83%.

[0041] Example 11:

[0042] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to 75°C, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 69%.

[0043] Example 12:

[0044] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to 85°C, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 39%.

[0045] Example 13:

[0046] The process is the same as in Example 1, except that the reaction temperature was changed from 65℃ to 90℃, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 27%.

[0047] Example 14:

[0048] The process is the same as in Example 1, except that the reaction temperature was changed from 65°C to 100°C, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 12%.

[0049] Example 15:

[0050] The process was the same as in Example 1, except that the reaction time was changed from 2 hours to 0.5 hours, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 19%.

[0051] Example 16:

[0052] The process is the same as in Example 1, except that the reaction time was changed from 2 hours to 1 hour, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 30%.

[0053] Example 17:

[0054] The process is the same as in Example 1, except that the reaction time was changed from 2 hours to 1.5 hours, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 70%.

[0055] Example 18:

[0056] The process was the same as in Example 1, except that the reaction time was changed from 2 hours to 2.5 hours, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 68%.

[0057] Example 19:

[0058] The process was the same as in Example 1, except that the reaction time was changed from 2 hours to 3 hours, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 31%.

[0059] Example 20:

[0060] The process was the same as in Example 1, except that the reaction time was changed from 2 hours to 3.5 hours, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 18%.

[0061] Example 21:

[0062] The process was the same as in Example 1, except that the reaction time was changed from 2 hours to 4 hours, yielding a white powdery solid [TATT][Rb](NO3)3 with a yield of approximately 6%.

[0063] The compound exhibits thermal stability up to 230℃, an impact sensitivity of 14 J, a friction sensitivity of 216 N, and an electron density as high as 4.6419 × 10⁻⁶. 21 / m 3 With an electron temperature reaching 0.58683 eV, it has great application potential in the field of plasma explosives.

[0064] After being allowed to stand in an aqueous solution, the crystal precipitates out, and its crystal structure is as follows: Figure 3 As shown.

[0065] The resulting crystals have a density as high as 2.078 g / cm³ at room temperature. 3The unit cell parameters are a = 13.2604(4), b = 13.6348(3), c = 14.2053(4), α = 90°, β = 90°, γ = 90°, the unit cell volume is 2568.36(12), and the space group is Pbca.

Claims

1. An energetic metal complex, characterized in that, Its structure is as follows:

2. A method for preparing an energetic metal complex, characterized in that, The steps for preparing the target product by reacting 3-aminomethyl-4,5-diamino-1,2,4-triazole with rubidium nitrate and concentrated nitric acid in water are described.

3. The method as described in claim 2, characterized in that, The molar ratio of 3-aminomethyl-4,5-diamino-1,2,4-triazole to rubidium nitrate and nitric acid is 1:1:1 to 6.

4. The method as described in claim 2, characterized in that, The reaction temperature is 25–100°C, preferably 45–65°C, and more preferably 55–65°C.

5. The method as described in claim 2, characterized in that, The reaction time is 0.5 to 4 hours, preferably 1.5 to 2.5 hours.

6. A crystal prepared from an energetic metal complex as described in claim 1, characterized in that, The crystal has the following cell parameters: a = 13.2604(4), b = 13.6348(3), c = 14.2053(4), α = 90°, β = 90°, γ = 90°, cell volume is 2568.36(12), and space group is -Pbca.

7. Use of an energetic metal complex as claimed in claim 1 or a crystal as claimed in claim 3 as an explosive.

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