Bonding Interaction of N5- with Metal Ions and Organic Cations

被引：0
|
作者：
Lu M. [1 ]
Xu Y.-G. [1 ]
Wang P.-C. [1 ]
Lin Q.-H. [1 ]
机构：
[1] School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing
来源：
Huozhayao Xuebao/Chinese Journal of Explosives and Propellants | 2019年 / 42卷 / 01期
关键词：
All-nitrogen compounds; Bonding interaction; N[!sub]5[!/sub][!sup]-[!/sup] anion; Pentazole compounds; Physical chemistry;
D O I：
10.14077/j.issn.1007-7812.2019.01.001
中图分类号：
学科分类号：
摘要：
The bonding interaction of N5- anions with typical metal cations and non-metallic compounds was studied through analyzing the internal structures of crystals reflected by single crystals. The results show that in most metal-containing N5- based compounds, coordination bonds are ubiquitous and η1-N5 is the only coordination mode of metal ions and pentazole N5-. In aqueous compounds, hydrogen bonds play an important role in the stability of N 5-anions. In the anhydrous non-metallic penzolium ion salts, the N5- anions are stabilized by the N-H...N hydrogen bonds. According to the difference in the bonding form of the N5-, the stable forms of the N5- can be classified into four broad categories. It is pointed out that using quantum chemical tools and on the basis of existing compounds, accurately simulating and designing the assembly mode of compounds and the mechanism of anionic and cationic interaction will provide a strong theoretical basis for the synthesis of new pentazole compounds. © 2019, Editorial Board of Journal of Explosives & Propellants. All right reserved.
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页码：1 / 5
页数：4
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