The stability and decomposition mechanism of the catenated nitrogen compounds
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| 008 | 210128e20150901xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1007/s00894-015-2766-2 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2766-2 | ||
| 245 | 0 | 4 | |a The stability and decomposition mechanism of the catenated nitrogen compounds |h [Elektronische Daten] |c [Xiuxiu Zhao, Cai Qi, Rubo Zhang, Shaowen Zhang, Shenghua Li, Siping Pang] |
| 520 | 3 | |a 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. Graphical Abstract The hunt of stable catenated nitrogen atom chains. The ring-opening of the triazole ring results in the hybridization of N atom changing from sp2 to sp. The lower reaction barrier of the N2 release reaction results in the poorer thermal stability of 1,1'-azobis(1,2,3-triazole) and 1,1'-azobis(tetrazole). | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Decomposition mechanism |2 nationallicence | |
| 690 | 7 | |a Nitrogen chains |2 nationallicence | |
| 690 | 7 | |a Poly-nitrogen compounds |2 nationallicence | |
| 690 | 7 | |a Stability |2 nationallicence | |
| 700 | 1 | |a Zhao |D Xiuxiu |u School of Material Science & Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | |
| 700 | 1 | |a Qi |D Cai |u China North Industries Group Corporation, 100089, Beijing, People's Republic of China |4 aut | |
| 700 | 1 | |a Zhang |D Rubo |u School of Chemistry, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | |
| 700 | 1 | |a Zhang |D Shaowen |u School of Chemistry, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | |
| 700 | 1 | |a Li |D Shenghua |u School of Material Science & Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | |
| 700 | 1 | |a Pang |D Siping |u School of Material Science & Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/9(2015-09-01), 1-6 |x 1610-2940 |q 21:9<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2766-2 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2766-2 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Zhao |D Xiuxiu |u School of Material Science & Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Qi |D Cai |u China North Industries Group Corporation, 100089, Beijing, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Zhang |D Rubo |u School of Chemistry, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Zhang |D Shaowen |u School of Chemistry, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Li |D Shenghua |u School of Material Science & Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Pang |D Siping |u School of Material Science & Engineering, State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, 100081, Beijing, People's Republic of China |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/9(2015-09-01), 1-6 |x 1610-2940 |q 21:9<1 |1 2015 |2 21 |o 894 | ||