THEORETICAL STUDY OF CHEMICAL SHIFT IN CO3+(D6) COMPOUNDS

被引:36
作者
BETTERIDGE, GP
GOLDING, RM
机构
[1] Physics and Engineering Laboratory, Department of Scientific and Industrial Research, Lower Hutt, Private Bag
[2] Chemistry Division, Department of Scientific and Industrial Research, Lower Butt, Private Bag
[3] Department of Physical Chemistry, University of New South Wales, Sydney, NSW
关键词
D O I
10.1063/1.1672371
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 NMR chemical shifts of a wide range of diamagnetic cobalt compounds have been interpreted by extending the basic theory of Griffith and Orgel to include calculations of spin-orbit coupling interaction, configurational mixing, bonding effects, and the distortion interaction. The important terms are the bonding effects and configurational mixing. The results tend to indicate a large quenching of the orbital momentum, resulting from a relatively large transfer of spin to the ligands. The value of the quenching within each of the three series of ligands appears to be constant.
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页码:2497 / +
页数:1
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