A Relation Between Internuclear Distances and Bond Force Constants

被引:1175
作者
Badger, Richard M. [1 ]
机构
[1] CALTECH, Gates Chem Lab, Pasadena, CA USA
关键词
D O I
10.1063/1.1749433
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
It has been found that for diatomic molecules the relation between the bond force constant, k(0), and the internuclear distance, r(e), is quite accurately given by the expression k(0)(r(e)-d(ij))(3) = 1.86 X 10(5), where d(ij) is a constant depending only on the rows in the periodic table in which the two elements comprising the molecule are located, The expression holds not only for the normal state but for all excited states with a few possible exceptions. Some uses of the relation are discussed and an extension to polyatomic molecules is suggested.
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页数:4
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