Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex
Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex
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DOI：
10.1039/c7tc03853d
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发表时间：
2017
影响因子：
6.4
通讯作者：
Robert Walwyn;B. Chan;P. Usov;Marcello B. Solomon;S. G. Duyker;J. Koo;M. Kawano;P. Turner;C. Kepert;D. D’Alessandro
中科院分区：
文献类型：
--
作者：
Robert Walwyn;B. Chan;P. Usov;Marcello B. Solomon;S. G. Duyker;J. Koo;M. Kawano;P. Turner;C. Kepert;D. D’Alessandro
本文报道了电子供体分子三硒富瓦烯 (TSTF) 的其他特性，及其通过涉及前体四碳甲氧基三硒富瓦烯 (TCMTSTF) 的新路线合成。 TSTF 的结构、电子和计算特性得到了全面的描述，并在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 还与著名的电子受体 7,7,8,8-四氰基醌二甲烷 (TCNQ) 结合到电荷转移 (CT) 络合物中，生成 TSTF-TCNQ。为了确立其在更大的 TXF-TCNQ 系列（其中 TXF = 四硫属富瓦烯）中的地位，对 TSTF 和 TSTF-TCNQ 进行了光谱、电化学、磁性、电导率和计算研究，以扩展对高度有趣且有用的新供体分子的了解。
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.