CORRELATION OF POLARIZABILITY, HARDNESS, AND ELECTRONEGATIVITY - POLYATOMIC-MOLECULES

被引：40

作者：

ROY, R ^{[1
]}

CHANDRA, AK ^{[1
]}

PAL, S ^{[1
]}

机构：

[1] NATL CHEM LAB,DIV PHYS CHEM,POONA 411008,MAHARASHTRA,INDIA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 41期

关键词：

D O I：

10.1021/j100092a011

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：

In this paper, for the first time we have correlated the hardness (eta), softness (s), and polarizability (P) with the electronegativity and the distortion (Delta R) of a single bond in a complex polyatomic system. The study also shows some interesting: trends as different types of bonds are distorted. We have suggested a new concept, ''local bond hardness'', in a complex polyatomic system. The molecules H2O, CH4, CH3Cl, and CH3F are chosen as primary test cases.

引用

页码：10447 / 10450

页数：4

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