Please use this identifier to cite or link to this item: http://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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