ISOTOPE EFFECT ON HYDROGEN-BOND LENGTH

被引:88
作者
SINGH, TR
WOOD, JL
机构
[1] Department of Chemistry, Imperial College of Science and Technology, London, S.W.7, Imperial Institute Road
[2] Department of Chemistry, University of Western Ontario, London, Ont.
[3] Department of Chemistry, University of California, Davis, CA
关键词
D O I
10.1063/1.1671587
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
Using the Stepanov approximation, computer calculations have been made of the effect of deuterium substitution on the length of the hydrogen bond. Expansion on replacement with deuterium is a feature of both symmetric and asymmetric double-minimum potentials, contraction of single-minimum potentials. The origin of the effect and its relation to observations is discussed.
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页码:3572 / &
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