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dc.contributor.authorSohail, M.
dc.contributor.authorKiani, F.
dc.contributor.authorPandarinathan, V.
dc.contributor.authorKhan, S.
dc.contributor.authorCarter, Damien
dc.contributor.authorDe Marco, Roland
dc.contributor.authorBond, A.
dc.identifier.citationSohail, 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.

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.

dc.publisherCSIRO Publishing
dc.titleTransformation of Cadmium Tetracyanoquinodimethane (TCNQ) into a Cadmium Terephthalate Metal-Organic Framework
dc.typeJournal Article
dcterms.source.titleAustralian Journal of Chemistry
curtin.departmentScience and Mathematics Education Centre (SMEC)
curtin.accessStatusFulltext not available

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