Show simple item record

Files in this item

Thumbnail

Item metadata

dc.contributor.authorPushkarevsky, Nikolay A.
dc.contributor.authorLonchakov, Anton V.
dc.contributor.authorSemenov, Nikolay A.
dc.contributor.authorLork, Enno
dc.contributor.authorBuravov, Lev I.
dc.contributor.authorKonstantinova, Lidia S.
dc.contributor.authorSilber, Georg T.
dc.contributor.authorRobertson, Neil
dc.contributor.authorGritsan, Nina P.
dc.contributor.authorRakitin, Oleg A.
dc.contributor.authorWoollins, J. Derek
dc.contributor.authorYagubskii, Eduard B.
dc.contributor.authorBeckmann, Jens
dc.contributor.authorZibarev, Andrey V.
dc.date.accessioned2015-03-30T09:01:03Z
dc.date.available2015-03-30T09:01:03Z
dc.date.issued2012-12-31
dc.identifier62938476
dc.identifier5b2405db-c712-433b-aa4c-4e1f6ee497d4
dc.identifier000315248400014
dc.identifier84870682673
dc.identifier.citationPushkarevsky , N A , Lonchakov , A V , Semenov , N A , Lork , E , Buravov , L I , Konstantinova , L S , Silber , G T , Robertson , N , Gritsan , N P , Rakitin , O A , Woollins , J D , Yagubskii , E B , Beckmann , J & Zibarev , A V 2012 , ' First charge-transfer complexes between tetrathiafulvalene and 1,2,5-chalcogenadiazole derivatives : design, synthesis, crystal structures, electronic and electrical properties ' , Synthetic Metals , vol. 162 , no. 24 , pp. 2267-2276 . https://doi.org/10.1016/j.synthmet.2012.10.026en
dc.identifier.issn0379-6779
dc.identifier.otherORCID: /0000-0002-1498-9652/work/31779210
dc.identifier.urihttps://hdl.handle.net/10023/6397
dc.descriptionThe authors are grateful to the Royal Society (RS International Joint Project 2010/R3), Deutsche Forschungsgemeinschaft (project 436 RUS 113/967/0-1 R), the Russian Foundation for Basic Research (project 10-03-00735), the Presidium of the Russian Academy of Sciences (projects 7.17, 8.14 and P-8), and to the Siberian Branch of the Russian Academy of Sciences (project 105) for funding.en
dc.description.abstractThe 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.
dc.format.extent10
dc.format.extent816482
dc.language.isoeng
dc.relation.ispartofSynthetic Metalsen
dc.subjectOrganic semiconductorsen
dc.subjectPhotoconductorsen
dc.subjectSynthesisen
dc.subjectCrystal structureen
dc.subjectQuantum chemical calculationsen
dc.subjectDensity-functional theoryen
dc.subjectRadical-anionen
dc.subjectOrganic electronicsen
dc.subjectMolecular-structureen
dc.subjectExcited-statesen
dc.subjectSolar-cellsen
dc.subjectChemistryen
dc.subjectSaltsen
dc.subjectTTFen
dc.subjectSuperconductorsen
dc.subjectQD Chemistryen
dc.subject.lccQDen
dc.titleFirst charge-transfer complexes between tetrathiafulvalene and 1,2,5-chalcogenadiazole derivatives : design, synthesis, crystal structures, electronic and electrical propertiesen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1016/j.synthmet.2012.10.026
dc.description.statusPeer revieweden


This item appears in the following Collection(s)

Show simple item record