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    Transformation of Cadmium Tetracyanoquinodimethane (TCNQ) into a Cadmium Terephthalate Metal-Organic Framework

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    Fulltext not available
    Authors
    Sohail, M.
    Kiani, F.
    Pandarinathan, V.
    Khan, S.
    Carter, Damien
    De Marco, Roland
    Bond, A.
    Date
    2017
    Type
    Journal Article
    
    Metadata
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    Citation
    Sohail, M. and Kiani, F. and Pandarinathan, V. and Khan, S. and Carter, D. and De Marco, R. and Bond, A. 2017. Transformation of Cadmium Tetracyanoquinodimethane (TCNQ) into a Cadmium Terephthalate Metal-Organic Framework. Australian Journal of Chemistry. 70 (9): pp. 973-978.
    Source Title
    Australian Journal of Chemistry
    DOI
    10.1071/CH17187
    ISSN
    0004-9425
    School
    Science and Mathematics Education Centre (SMEC)
    URI
    http://hdl.handle.net/20.500.11937/56925
    Collection
    • Curtin Research Publications
    Abstract

    The transformation of cadmium 7,7,8,8-tetracyanoquinodimethane (TCNQ) into a cadmium terephthalate co-ordination polymer is reported, with the chemistry of this material elucidated using elemental analysis, X-ray photoelectron spectroscopy and synchrotron radiation single-cr ystal X-ray diffraction. A heptacoordinated Cd II linear coordination polymer catena-poly[triaqua-(µ 2 -benzene-1,4-dicarboxylato-?O,O')cadmium(ii)]hydrate (1) was isolated while attempting to recrystallize Cd(TCNQ) 2 . Density functional theory calculations for the oxidation of benzylic carbon attached to the cyano group provided evidence that the reaction pathway proposed herein is highly exergonic and thermodynamically plausible. This structure showed a distorted pentagonal bipyramidal geometry together with a symmetrical mononuclear unit in which each Cd II ion is doubly bridged by a dicarboxylato anion. Owing to the softness and minute size of these crystals, this structure had to be elucidated using synchrotron radiation X-ray crystallography.

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