期刊
SYNTHETIC METALS
卷 162, 期 24, 页码 2267-2276出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.synthmet.2012.10.026
关键词
Organic semiconductors; Photoconductors; Synthesis; Crystal structure; Quantum chemical calculations
资金
- Royal Society (RS International Joint Project) [2010/R3]
- Deutsche Forschungsgemeinschaft [436 RUS 113/967/0-1 R]
- Russian Foundation for Basic Research [10-03-00735, 12-03-31534]
- Presidium of the Russian Academy of Sciences [7.17, 8.14, P-8]
- Siberian Branch of the Russian Academy of Sciences [105]
- Russian Science Support Foundation
- University of Edinburgh
- EPSRC
- Ministry of Education and Science of the Russian Federation [14.132.21.1471]
- EPSRC [EP/G049726/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/G049726/1] Funding Source: researchfish
The first charge-transfer complexes of tetrathiafulvalene (1) with 1,2,5-chalcogenadiazole derivatives, i.e. with [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (2) and 3,4-dicyano-1,2,5-telluradiazole (3), were designed, prepared in the form of air and thermally stable single crystals and structurally defined by X-ray diffraction as 1-2 and 1.3(2), respectively. Starting compound 2 (effective electron acceptor with potentially broad application in the field) was synthesized by a new efficient one-pot method from 3,4-diamino-1,2,5-oxadiazole and disulfur dichloride. The electronic structure of complexes 1.2 and 1.3(2) and thermodynamics of their formation were studied by means of DFT and QTAIM calculations and UV-Vis spectroscopy. The electrical properties of single crystals of the complexes were investigated revealing semiconductor properties with an activation energy of 0.34 eV for 1.2 and 0.40 eV for 1.3(2). Polycrystalline films of the complexes displayed photoconductive effects with increased conductivity under white-light illumination. (C) 2012 Elsevier B.V. All rights reserved.
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