High-performance nitrogen-rich oxygen-rich metal complex and its design method and application

A technology of metal complexes and design methods, which is applied in the direction of nitrated metal-organic compounds, copper-organic compounds, single substances as explosives, etc., which can solve the problems of safety accidents, increased usage, low sensitivity and safety, etc.

Pending Publication Date: 2018-01-26
NANJING INST OF TECH
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

These compounds are generally ionic compounds. Because of this, almost all traditional primary explosives have extremely high sensitivity and low safety, so it is easy to cause safety acci...

Method used

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  • High-performance nitrogen-rich oxygen-rich metal complex and its design method and application
  • High-performance nitrogen-rich oxygen-rich metal complex and its design method and application
  • High-performance nitrogen-rich oxygen-rich metal complex and its design method and application

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specific Embodiment approach

[0018] With Cu as the metal center, nitrogen-rich and oxygen-rich nitrotetrazolium oxynitride (NTZNO), NH 3 and NH 2 NO 2 As a high-energy ligand, the final target Cu(NTZNO)(NH 3 )(NH 2 NO 2 ). The density functional theory is used to optimize its structure, and its heat of formation, density, detonation heat, detonation velocity, detonation pressure and impact sensitivity are calculated by Politzer method and other methods. The specific implementation is as follows:

[0019] (1) Molecular design

[0020] First, Cu is used as the metal center; then, nitrogen-rich and oxygen-rich nitrotetrazolium oxynitride (NTZNO) is used as the high-energy ligand, and the two NTZNO ligands are connected to Cu through Cu-O coordination bonds; in order to Increase the nitrogen content and oxygen content of the target, thereby further increasing its energy level and introducing NH 2 NO 2 Ligand; Finally, in order to reduce the sensitivity of the target and not significantly affect the e...

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Abstract

The invention relates to a novel high-performance nitrogen-rich metal complex Cu(NTZNO)(NH3)(NH2NO2) and its design method and application and belongs to the crossing field of metal materials, energetic materials and quantum chemistry. Cu as a metal center and nitrogen-rich and oxygen-rich nitro-tetrazolium nitroxide (NTZNO), NH3 and NH2NO2 as high-energy ligands form the complex through a skeleton structure. The design method effectively ensures that the complex has high energy and minimizes the high sensitivity of the metal elements so that compared with the traditional primary explosive, the complex has higher energy and lower sensitivity and can be used as a substitute for the traditional high energy explosive and primary explosive.

Description

technical field [0001] The utility model belongs to the intersection field of metal materials, energetic materials and quantum chemistry, and specifically relates to a high-performance nitrogen-rich and oxygen-rich metal complex Cu(NTZNO)(NH 3 )(NH 2 NO 2 ) and its design methods and applications. Background technique [0002] With the increasingly fierce international competition, enhancing national defense strength and improving the national economic level have become the top priorities of the development of countries all over the world. Countries have also put forward higher requirements for the performance of different types of energetic materials such as priming charges. Traditional primers, such as metal azides, are generally metal-containing compounds. These compounds are generally ionic compounds. Because of this, almost all traditional primary explosives have extremely high sensitivity and low safety, thus easily causing safety accidents. Moreover, due to the lo...

Claims

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Application Information

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IPC IPC(8): C07F1/08C06B41/00C06B49/00C06D5/04G06F17/50
Inventor 李启迪李恺李杭李秋雅倪钰惠刘德麟吴琼
Owner NANJING INST OF TECH
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