AM1 method study on the thermolyses of o-dimethylaminobenzoyl azide and its derivatives

作者：Xu WY^*; Hong SG; Chen LP; Li FY; Wang LF

来源：Acta Chimica Sinica, 2003, 61(6): 846-852.

• AM1 method
• o-dimethylaminobenzoyl azide
• thermolysis
• transition state

The UHF/AM1 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.

• 出版日期2003-6
• 单位南昌大学; 中国科学院长春应用化学研究所; 江西师范大学; 华南理工大学