一种通过区域异构化和分子内整合的高级耐热炸药

IF 3.6 2区化学 Q1 CHEMISTRY, ORGANIC

Journal of Organic Chemistry Pub Date : 2025-03-25 DOI:10.1021/acs.joc.4c0204810.1021/acs.joc.4c02048

Chengchuang Li, Teng Zhu, Jie Tang, Guangbin Cheng*, Chuan Xiao* and Hongwei Yang*,

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引用次数: 0

摘要

在分子内整合构建的化合物中，邻氨基硝基与四唑骨架整合的化合物4 （Td = 321°C, D = 8799 m s-1, IS = 35 J）的综合性能远优于目前应用最广泛的耐热炸药HNS (Td = 318°C, D = 7612 m s-1, IS = 5 J)，可能成为先进耐热炸药的候选材料。与8相比，同分异构体4在密度、热稳定性和敏感性方面均有显著提高，这可能是由于其具有较强的结构芳构性、氢键和较大的面对面π -π相互作用面强度所致。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

An Advanced Heat-Resistant Explosive through Regional Isomerization and Intramolecular Integration

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An Advanced Heat-Resistant Explosive through Regional Isomerization and Intramolecular Integration

Among all compounds constructed by intramolecular integration, 4 (T_d = 321 °C, D = 8799 m s^–1, IS = 35 J) that integrates ortho amino nitro group and tetrazole framework possesses a much better comprehensive performance than most widely used heat-resistant explosive HNS (T_d = 318 °C, D = 7612 m s^–1, IS = 5 J), which suggest that it might be a candidate for advanced heat-resistant explosive. Compared with 8, isomer 4 shows significant improvement in density, thermal stability and sensitivity, which may be caused by the relatively strong structural aromaticity, hydrogen bond and large face-to-face π–π interaction surfaces strength.

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来源期刊

Journal of Organic Chemistry 化学-有机化学

CiteScore

6.20

自引率

11.10%

发文量

1467

审稿时长

2 months

期刊介绍： Journal of Organic Chemistry welcomes original contributions of fundamental research in all branches of the theory and practice of organic chemistry. In selecting manuscripts for publication, the editors place emphasis on the quality and novelty of the work, as well as the breadth of interest to the organic chemistry community.