The maximum hardness principle implies the hard/soft acid/base rule

被引:101
作者
Chattaraj, PK [1 ]
Ayers, PW
机构
[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
[2] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1063/1.2011395
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The maximum hardness principle tool in relation to charge-transfer energy was investigated. Based on a consideration of charge-transfer energies, it was proved that the hard/soft acid/base exchange reaction is exothermic. Minimizing the usual energy expression with respect to the extent of charge transfer, the reaction energy was determined. The results show that the softest acid will always bind to the softest base available, leaving the harder base to bind to the harder acid.
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页数:2
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