MO (MOLECULAR-ORBITAL) DEFINITION OF MOLECULAR HARDNESS - SOME APPLICATIONS

被引：0
|
作者：
DEGIAMBIAGI, MS
GIAMBIAGI, M
机构：
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1993年 / 107卷 / 03期
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D O I：
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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 hypotheses involved in an MO definition of hardness/softness, previously introduced, are discussed. Hardness of the homologous series of alcohols, aldehydes and acid derivatives of saturated hydrocarbons is calculated; it decreases monotonically with the chain length. An analytical expression relating softness with the experimental molecular polarizability is found.
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页码：273 / 282
页数：10
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