First principle study and Hirshfeld surface analysis on the effect of type, number, and position of small molecules on the structural stability and optical property of a powerful energetic crystal 6-nitro-7-azido-pyrazol[3,4-d][1,2,3]triazine-2-oxide

Author:

Wu Qiong123ORCID,Sun Tao1,Tan Linghua23,Zhu Weihua3ORCID

Affiliation:

1. School of Materials Science and Engineering, Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing Institute of Technology, Nanjing 211167, China

2. National Special Superfine Powder Engineering Research Center, Nanjing 210014, China

3. Nanjing University of Science and Technology, Nanjing 210094, China

Abstract

The powerful but unstable high energy compound ICM-103 is stabilized and desensitized by small molecules H2O, NH3, and H2S.

Funder

Natural Science Foundation of Jiangsu Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Chemistry (miscellaneous)

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