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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) September 25, 2009

Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates

  • M. A. Buntine , M. J. Cox , Y. X. Lim , T. C. Yap and Edward R. T. Tiekink

Abstract

The xanthate anion in the structure of K[S2COnPr] displays the expected features, i.e. planar S2CO chromophore and variation in C—S and C—O distances. The K cation exists in a distorted cubic geometry defined by an O2S6 donor set. Cubes are face-shared so as to form a layer structure with cohesion between layers afforded by hydrophobic interactions. A series of theoretical gas-phase structures have been calculated for isolated S2COR anions. These show that there is a remarkable consistency in geometric parameters across the series. This observation indicates that the nature of the R substituent does not influence greatly the electronic structure of the central S2CO chromophore.

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Published Online: 2009-9-25
Published in Print: 2003-1-1

© 2003 Oldenbourg Wissenschaftsverlag GmbH

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