Structural and Electronic Study of Donors Composed of Two TTF Moieties Linked by Tellurium Bridges

James D. Martin; Enric Canadell; James Y. Becker; Joel Bernstein

doi:10.1021/cm00033a003

Structural and Electronic Study of Donors Composed of Two TTF Moieties Linked by Tellurium Bridges

James D. Martin, Enric Canadell, James Y. Becker, Joel Bernstein

Department of Chemistry

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32 Scopus citations

Abstract

The details of the crystal and electronic structure of two compounds composed of two TTF (tetrathiafulvalene) moieties linked by one and two tellurium atoms have been studied. In each case the two TTF units in a given molecule differ: in one the difference is manifested in the intramolecular bond lengths, while in the second case there is a difference in the degree of molecular planarity. Because of the difference in conformational degrees of freedom, the mutual disposition of the TTF units also differs in the two structures, as do the type and number of the intermolecular interactions. It is suggested that the inequivalence between the two chemically identical TTF units in donors of this type, can lead to a quite large localization of the HOMO in one of the two TTF moieties. The implications of such a localization for the transport properties of this type of donors are discussed.

Original language	English
Pages (from-to)	1199-1203
Number of pages	5
Journal	Chemistry of Materials
Volume	5
Issue number	9
DOIs	https://doi.org/10.1021/cm00033a003
State	Published - 1 Jan 1993

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Materials Chemistry

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10.1021/cm00033a003

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title = "Structural and Electronic Study of Donors Composed of Two TTF Moieties Linked by Tellurium Bridges",

abstract = "The details of the crystal and electronic structure of two compounds composed of two TTF (tetrathiafulvalene) moieties linked by one and two tellurium atoms have been studied. In each case the two TTF units in a given molecule differ: in one the difference is manifested in the intramolecular bond lengths, while in the second case there is a difference in the degree of molecular planarity. Because of the difference in conformational degrees of freedom, the mutual disposition of the TTF units also differs in the two structures, as do the type and number of the intermolecular interactions. It is suggested that the inequivalence between the two chemically identical TTF units in donors of this type, can lead to a quite large localization of the HOMO in one of the two TTF moieties. The implications of such a localization for the transport properties of this type of donors are discussed.",

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AU - Martin, James D.

AU - Canadell, Enric

AU - Becker, James Y.

AU - Bernstein, Joel

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N2 - The details of the crystal and electronic structure of two compounds composed of two TTF (tetrathiafulvalene) moieties linked by one and two tellurium atoms have been studied. In each case the two TTF units in a given molecule differ: in one the difference is manifested in the intramolecular bond lengths, while in the second case there is a difference in the degree of molecular planarity. Because of the difference in conformational degrees of freedom, the mutual disposition of the TTF units also differs in the two structures, as do the type and number of the intermolecular interactions. It is suggested that the inequivalence between the two chemically identical TTF units in donors of this type, can lead to a quite large localization of the HOMO in one of the two TTF moieties. The implications of such a localization for the transport properties of this type of donors are discussed.

AB - The details of the crystal and electronic structure of two compounds composed of two TTF (tetrathiafulvalene) moieties linked by one and two tellurium atoms have been studied. In each case the two TTF units in a given molecule differ: in one the difference is manifested in the intramolecular bond lengths, while in the second case there is a difference in the degree of molecular planarity. Because of the difference in conformational degrees of freedom, the mutual disposition of the TTF units also differs in the two structures, as do the type and number of the intermolecular interactions. It is suggested that the inequivalence between the two chemically identical TTF units in donors of this type, can lead to a quite large localization of the HOMO in one of the two TTF moieties. The implications of such a localization for the transport properties of this type of donors are discussed.

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Structural and Electronic Study of Donors Composed of Two TTF Moieties Linked by Tellurium Bridges

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