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

Manzar Sohail; Farooq Ahmad Kiani; Vedapriya Pandarinathan; Safyan Akram Khan; Damien J Carter; Roland De Marco; Alan M Bond

doi:10.1071/CH17187

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

Journal article

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

Manzar Sohail, Farooq Ahmad Kiani, Vedapriya Pandarinathan, Safyan Akram Khan, Damien J Carter, Roland De Marco and Alan M Bond

Australian Journal of Chemistry, Vol.70(9), pp.973-978

2017

DOI: https://doi.org/10.1071/CH17187

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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-crystal X-ray diffraction. A heptacoordinated CdII linear coordination polymer catena-poly[triaqua-(μ2-benzene-1,4-dicarboxylato-κO,Oâ€²)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 CdII 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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Title: Transformation of Cadmium Tetracyanoquinodimethane (TCNQ) into a Cadmium Terephthalate Metal–Organic Framework
Authors: Manzar Sohail (Author) - University of the Sunshine Coast - Faculty of Science, Health, Education and Engineering
Farooq Ahmad Kiani (Author) - Heidelberg University, Germany
Vedapriya Pandarinathan (Author) - Curtin University
Safyan Akram Khan (Author) - King Fahd University of Petroleum and Minerals, Saudi Arabia
Damien J Carter (Author) - Curtin University
Roland De Marco (Author) - University of the Sunshine Coast - Faculty of Science, Health, Education and Engineering
Alan M Bond (Author) - Monash University
Publication details: Australian Journal of Chemistry, Vol.70(9), pp.973-978
Publisher: C S I R O Publishing
Date published: 2017
DOI: 10.1071/CH17187
ISSN: 0004-9425
Organisation Unit: School of Science and Engineering - Legacy; University of the Sunshine Coast, Queensland; Office of the Deputy Vice-Chancellor (Research and Innovation)
Language: English
Record Identifier: 99450570102621
Output Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Web Of Science research areas: Chemistry, Multidisciplinary