Isomeric Phenomenon and the Maximum Hardness Principle

Chem. J. Chinese Universities

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Isomeric Phenomenon and the Maximum Hardness Principle

ZHANG Yi-Liang¹, YANG Zhong-Zhi²

1. College of Chemistry, Jilin University, Changchun 130023, China;
2. Department of Chemistry, Liaoning Normal University, Dalian 116029, China

Received:2005-09-27 Revised:1900-01-01 Online:2006-10-10 Published:2006-10-10
Contact: YANG Zhong-Zhi

Abstract

Abstract: The hardnesses of more than 700 isomers were calculated by using atom-bond electronegativity equalization method. By comparing their hardnesses with the relative stabilities derived from their standard enthalpies of formation, it is found that the maximum hardness principle is not obeyed for most of these isomers.

Key words: Maximum hardness principle, Atom-bond electronegativity equalization method, Isomer, Hardness, Stability

CLC Number:

O641

TrendMD:

ZHANG Yi-Liang¹, YANG Zhong-Zhi²
. Isomeric Phenomenon and the Maximum Hardness Principle[J]. Chem. J. Chinese Universities, doi: .

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Isomeric Phenomenon and the Maximum Hardness Principle

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