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Spectroscopic, electronic and computational properties of an unexplored mixed tetrachalcogenafulvalene and its charge transfer complex

Abstract

This paper reports the unexplored electron donor molecule triselenathiafulvalene (TSTF) and its synthesis via a new route involving the precursor tetracarboxymethoxytriselenathiafulvalene (TCMTSTF). The structural, electronic and computational properties of TSTF are fully profiled, and discussed in the context of the closely related archetypal electron donor molecule tetrathiafulvalene (TTF). TSTF was also incorporated into a charge transfer (CT) complex with the well-known electron acceptor 7,7,8,8 tetracyanoquinodimethane (TCNQ), to generate TSTF-TCNQ. In order to establish its position in the greater TXF-TCNQ series (where TXF = a tetrachalcogenafulvalene), spectral, electrochemical, magnetic, conductivity and computational studies were performed on TSTF and TSTF-TCNQ to extend what is known about the highly interesting and useful new donor molecule.

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Publication details

The article was received on 24 Aug 2017, accepted on 26 Nov 2017 and first published on 27 Nov 2017


Article type: Paper
DOI: 10.1039/C7TC03853D
Citation: J. Mater. Chem. C, 2017, Accepted Manuscript
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    Spectroscopic, electronic and computational properties of an unexplored mixed tetrachalcogenafulvalene and its charge transfer complex

    R. Walwyn, B. Chan, P. M. Usov, M. B. Solomon, S. Duyker, J. Koo, M. Kawano, P. Turner, C. J. Kepert and D. M. D'Alessandro, J. Mater. Chem. C, 2017, Accepted Manuscript , DOI: 10.1039/C7TC03853D

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