The stability and decomposition mechanism of the catenated nitrogen compounds

Xiuxiu Zhao, Cai Qi, Rubo Zhang, Shaowen Zhang, Shenghua Li, Siping Pang*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

7 引用 (Scopus)

摘要

Through theoretical calculation and experimental data, the decomposition mechanism of the N,N’-azo azole poly-nitrogen compounds were obtained. The compounds with the decomposition caused by the rupture of the -N-N=N-N- bridge are more stable than the ones with the ring-opening decomposition mechanisms. The catenated -N-N=N-N- bridge can strengthen the stability of the nitrogen chain. Preventing the hybridization change of the N atom where the ring-opening reaction occurs is essential for the nitrogen chain elongation on the ring system. Moreover, the introduction of energetic substituents like nitro group can further improve the performances of poly-nitrogen compounds; and such a modification should be based on a stable poly-nitrogen backbone. [Figure not available: see fulltext.]

源语言英语
文章编号223
期刊Journal of Molecular Modeling
21
9
DOI
出版状态已出版 - 11 9月 2015

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