Acta Chimica Sinica ›› 2003, Vol. 61 ›› Issue (6): 846-852. Previous Articles     Next Articles

Original Articles

2—二甲胺基苯甲酰叠氮及其衍生物热解机理的AMI研究

徐文媛;洪三国;陈丽萍;李凤仪;王乐夫   

  1. 华南理工大学化工学院;江西师范大学化学与生物科学学院;南昌大学应用化 学研究所
  • 发布日期:2003-06-15

AM1 Method Study on the Thermoloyses of o-Dimethylaminobenzoyl Azide and Its Derivatives

Xu Wenyuan;Hong Sanguo;Chen Liping;Li Fengyi;Wang Lefu   

  1. Institute of Chemical Engineering, South China University of Technology;Institute of Chemistry and Biology, Jiangxi Normal University;Institute of Applied Chemistry, Nanchang University
  • Published:2003-06-15

The UHF/AMl calculations were applied to study the thermolyses of o- dimethylaminobenzoyl, o-dimethylamino-p-methylbenzoyl and o- dimethylamino-p-nitrobenzoyl azides. The results obtained indicate that these substances are decomposed into different products via four competing routes, i.e. exothermic process, endothermic process, converted reaction mechanism, and multistep reaction mechanism, depending upon the different substituents on the molecules.

Key words: AZODES, THERMAL DECOMPOSITION, TRANSITION STATE, METHANAMINE P, SUBSTITUENT GROUP

CLC Number: