Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex†,Journal of Materials Chemistry C

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Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex†
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2017-11-27 00:00:00 , DOI: 10.1039/c7tc03853d
Robert J. Walwyn _{1,

2,

3,

4} , Bun Chan _{5,

6,

7,

8} , Pavel M. Usov _{1,

2,

3,

4} , Marcello B. Solomon _{1,

2,

3,

4} , Samuel G. Duyker _{1,

2,

3,

4} , Jin Young Koo _{9,

10,

11,

12} , Masaki Kawano _{9,

10,

11,

12,

13} , Peter Turner _{1,

2,

3,

4} , Cameron J. Kepert _{1,

2,

3,

4} , Deanna M. D'Alessandro _{1,

2,

3,

4}

Affiliation

This paper reports additional properties of the electron donor molecule triselenathiafulvalene (TSTF) and its synthesis via a new route involving the precursor tetracarbomethoxytriselenathiafulvalene (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.

中文翻译：

混合的四硫属元素富富瓦烯及其电荷转移配合物的光谱，电子和计算性质†

本文报道了电子供体分子三硒烯富瓦烯（TSTF）的其他性质及其通过涉及前体四碳甲氧基叔丁基富马烯（TCMTSTF）的新途径。TSTF的结构，电子和计算性能已全面介绍，并在与之密切相关的原型电子供体分子四硫富瓦烯（TTF）的背景下进行了讨论。TSTF还与众所周知的电子受体7,7,8,8-四氰基喹二甲烷（TCNQ）一起掺入电荷转移（CT）复合物中，生成TSTF–TCNQ。为了确定其在更大的TXF–TCNQ系列中的位置（其中TXF =四硫属元素富瓦烯），对TSTF和TSTF–TCNQ进行了光谱，电化学，磁性，电导率和计算研究，以扩展人们对这一高度有趣和有用的认识新的供体分子。

更新日期：2017-11-27

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