A theoretical study of proton-transfer reaction of benzanilide II: The tautomerization of benzanilide and N-phenylbenzimidic acid

Acta Chimica Sinica ›› 1991, Vol. 49 ›› Issue (5): 437-441. Previous Articles Next Articles

Original Articles

苯甲酰苯胺激发态质子转移反应的理论研究 II: N-苯基苯甲酰胺和N-苯基苯甲亚胺酸的互变异构

刘天华;封继康;汤国庆;李志儒

吉林大学化学系

发布日期:1991-05-15

A theoretical study of proton-transfer reaction of benzanilide II: The tautomerization of benzanilide and N-phenylbenzimidic acid

LIU TIANHUA;FENG JIKANG;TANG GUOQING;LI ZHIRU

Published:1991-05-15

Abstract

Using INDO series methods, the excited proton-transfer reaction of benzanilide was studied, and the potential energy surface, barrier, transition state, and fluorescence shift were obtained. The mechanism of the reaction and the possibility of applications are discussed. The spectra of related compounds are in good agreement with experiments

Key words: BENZAMIDE P, BENZAMINE P, BENZENE P, PROTON TRANSFER, CNDO APPROXIMATION, EXCITED STATE, TAUTOMERISM, POTENTIAL BARRIER, BENZENECARBOXIMIDIC ACID P, POTENTIAL ENERGY SURFACES

CLC Number:

O641
O621

Cite this article

LIU TIANHUA;FENG JIKANG;TANG GUOQING;LI ZHIRU. A theoretical study of proton-transfer reaction of benzanilide II: The tautomerization of benzanilide and N-phenylbenzimidic acid[J]. Acta Chimica Sinica, 1991, 49(5): 437-441.

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苯甲酰苯胺激发态质子转移反应的理论研究 II: N-苯基苯甲酰胺和N-苯基苯甲亚胺酸的互变异构

A theoretical study of proton-transfer reaction of benzanilide II: The tautomerization of benzanilide and N-phenylbenzimidic acid

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