Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates
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M. A. Buntine
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.
© 2003 Oldenbourg Wissenschaftsverlag GmbH
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Articles in the same Issue
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- Tricalcium silicate Ca3SiO5, the major component of anhydrous Portland cement: on the conservation of distances and directions and their relationship to the structural elements
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- Synthesis, X-ray crystal structure and dielectric measurements of a tetragonal tungsten bronze: Pb0.75K1.80Li1.70Nb5O15
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- EXAFS and XRD investigations of zeunerite and meta-zeunerite
- Crystal and molecular structures of 4-aryl-1,4-dihydropyrimidines: Novel calcium channel antagonists
- Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates
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- Books Received