On the Mechanism of Thermal Decomposition of N,Nˊ-Dinitrom-e thylenediamine

Jiang Delin;Liu Ziru;Wu Chengyun

Acta Armamentarii ›› 1987, Vol. 8 ›› Issue (1) : 19-29. DOI: 10.3969/j.issn.1000-1093.1987.01.003
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On the Mechanism of Thermal Decomposition of N,Nˊ-Dinitrom-e thylenediamine

  • Jiang Delin、Liu Ziru、Wu Chengyun
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Abstract

The thermal decomposition of N,Nˊ-dinitromethylenediamine is studied experimentally. The phase relationships between HOMO and LUMO in possible concerted processes are studied with the frontier orbital theory. The process of B-membered cyclic concerted fragmentation is calculated with the CNDO/Ⅱ method. The results of theoretical calculation are in agreement with the experimental results. These results show that the mechanism of the decomposition is basically the concerted process of the 6-membered cyclic fragmentation,

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Jiang Delin、Liu Ziru、Wu Chengyun. On the Mechanism of Thermal Decomposition of N,Nˊ-Dinitrom-e thylenediamine. Acta Armamentarii. 1987, 8(1): 19-29 https://doi.org/10.3969/j.issn.1000-1093.1987.01.003

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