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

    Access Status
    Fulltext not available
    Authors
    Buntine, Mark
    Cox, M.
    Lim, Y.
    Yap, T.
    Tiekink, E.
    Date
    2003
    Type
    Journal Article
    
    Metadata
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    Citation
    Buntine, M.A. and Cox, M.J. and Lim, Y.X. and Yap, T.C. and Tiekink, Edward R.T. 2009. Crystal structure of anhydrous potassium O-n-propyldithiocarbonate. Theoretical calculations of O-alkyl dithiocarbonates. Zeitschrift fuer Kristallographie - New Crystal Structures 218 (1): pp. 56-61.
    Source Title
    Zeitschrift fuer Kristallographie - New Crystal Structures
    DOI
    10.1524/zkri.218.1.56.20767
    ISSN
    00442968
    URI
    http://hdl.handle.net/20.500.11937/12669
    Collection
    • Curtin Research Publications
    Abstract

    The xanthate anion in the structure of K[S(2)COnPr] 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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