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Calculations of some 1J(SiC) and 1J(SiF) values

✍ Scribed by S. Duangthai; G. A. Webb

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
345 KB
Volume
20
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Some calculations of ^1^J(SiC) and ^1^J(SiF) are performed by self‐consistent perturbation theory employing standard INDO parameters. ^1^J(SiC) is dominated by the contact interaction, whereas the opposite sign for ^1^J(SiF) is due to a large orbital interaction. The ^1^J(SiC) data are satisfactorily reproduced by calculations employing an sp basis set, whereas the inclusion of silicon 3d orbitals provides a more reasonable account of ^1^J(SiF).

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