Maximum bond order hybrid orbital calculations of the S=O stretching frequencies for sulphuryl and thionyl compounds

Authors
Xiong, Y Zhan, CG
Citation
Y. Xiong et Cg. Zhan, Maximum bond order hybrid orbital calculations of the S=O stretching frequencies for sulphuryl and thionyl compounds, PHOSPHOR SU, 149, 1999, pp. 65-73
Citations number
49
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
ISSN journal
10426507 → ACNP
Volume
149
Year of publication
1999
Pages
65 - 73
Database
ISI
SICI code
1042-6507(1999)149:<65:MBOHOC>2.0.ZU;2-J
Abstract
A new generalized relationship, which includes the contributions of the net atomic charges and the orbital characters of the hybrid atomic orbitals fo rming the S=O bond, is employed to elucidate the S=O bond stretching vibrat ional frequencies based an the maximum bond order hybrid orbital calculatio ns. The S=O stretching frequencies calculated by using the explicit relatio nship obtained are in good agreement with the corresponding experimental fr equencies.