Please use this identifier to cite or link to this item:
https://hdl.handle.net/2440/4630
Type: | Journal article |
Title: | Influence of Crystal Packing on Molecular Geometry: A Crystallographic and Theoretical Investigation of Selected Diorganotin Systems |
Author: | Buntine, Mark Anthony Hall, Veronica Jane Kosovel, Frances Tiekink, Edward Richard Tom |
Citation: | Journal of Physical Chemistry A, 1998; 102(14):2472-2482 |
Publisher: | American Chemical Society |
Issue Date: | 1998 |
ISSN: | 1089-5639 |
School/Discipline: | School of Chemistry and Physics School of Chemistry and Physics : Chemistry |
Abstract: | A combined crystallographic and theoretical study into the influence of crystal packing on molecular geometry in certain diorganotin compounds is reported. Geometry optimizations of crystallographically determined molecular geometries revealed that in the absence of crystal packing effects the molecules become more symmetric, and hence it is suggested that crystal packing can influence molecular geometry. Generally, while bond angles subtended at tin did not change significantly beyond that required to effect the symmetrization of the structure, Sn-ligand separations tended to elongate in the gas phase. |
Description: | Copyright © 1998 American Chemical Society |
Published version: | http://pubs.acs.org/cgi-bin/abstract.cgi/jpcafh/1998/102/i14/abs/jp9728722.html |
Appears in Collections: | Chemistry publications |
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