CNDO calculation of the π-electronic structure and barrier to internal rotation in benzenesulphonic acid期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

CNDO calculation of the π-electronic structure and barrier to internal rotation in benzenesulphonic acid

Authors:	C. I. Ghirvu

Affiliation:	(1) Faculty of Chemistry, The Al. I. Cuza University of Jassy, Calea 23 August 11, Jassy, Romania

Abstract:	The CNDO calculation of the charge densities and bond orders show a distinction between two extreme geometrical configurations of the benzenesulphonic acid, but the barrier to internal rotation of the sulphonic group about the C-S bond, calculated by the same method, has revealed that they are energetically equivalent.

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