On nuclear pseudoquadrupole interactions in lithium fluoride and lithium bromide molecules

被引：15

作者：

Pyykko, P. ^{[1
]}

Linderberg, J. ^{[1
]}

机构：

[1] Aarhus Univ, Dept Chem, DK-8000 Aarhus, Denmark

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 5卷 / 01期

关键词：

D O I：

10.1016/0009-2614(70)80123-3

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：

A nuclear pseudoquadrupole coupling constant. K. is defined and calculated for Li and Br nuclei in LiF and LiBr molecules using a Ramsey truncated perturbation sum approach and the SCF MO LCAO wave functions of McLean and Yoshimine and of Ransil. We find K-pq to be about one part in 10(5) of the observed total quadrupole-like coupling constant, K, of Li-6 nuclei in LIF; for Br-79 in LiBr K-pq is about 2 x 10(-6) times K.

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页码：34 / 36

页数：3

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