Quantum chemical study on the thermolyses of o-aminobenzoyl azide and its derivatives

Citation
Wy. Xu et al., Quantum chemical study on the thermolyses of o-aminobenzoyl azide and its derivatives, CHEM J CH U, 21(1), 2000, pp. 127-129
Citations number
6
Categorie Soggetti
Chemistry
Journal title
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN journal
02510790 → ACNP
Volume
21
Issue
1
Year of publication
2000
Pages
127 - 129
Database
ISI
SICI code
0251-0790(200001)21:1<127:QCSOTT>2.0.ZU;2-8
Abstract
UHF/AM1 method has been applied to study the thermolyses of o-aminobenzoyl, o-amino-p-methylbenzoyl, o-amino-p-formalbenzoyl azides, The results obtai ned show that these reactions proced through various competing routes yield ing to different products, and the activation energy of the rate-determinin g steps of routes (2)-(4) are lower than that of route(1).