Structural features of 1,3,5-trifluorobenzene radical anion, as studied by optically detected ESR spectroscopy and quantum chemistry Full article
Journal |
Russian Chemical Bulletin
ISSN: 1066-5285 , E-ISSN: 1573-9171 |
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Output data | Year: 2013, Volume: 62, Number: 11, Pages: 2311-2316 Pages count : DOI: 10.1007/s11172-013-0335-3 | ||||||
Tags | radical anions; fluorobenzenes; electronic structure; optically detected ESR spectroscopy; quantum chemical calculations; density functional theory; B3LYP and BHHLYP functionals | ||||||
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Abstract:
The ESR spectrum of 1,3,5-trifluorobenzene radical anion was obtained for the first time using optically detected ESR spectroscopy. Experimental data and results of a quantum chemical study of the potential energy surface (density functional theory B3LYP and BHHLYP methods) are indicative of fast interconversions between nonplanar conformations of this radical anion.
Cite:
Blinkova S.V.
, Vyushkova M.M.
, Shchegoleva L.N.
, Beregovaya I.V.
, Bagryansky V.A.
, Molin Y.N.
Structural features of 1,3,5-trifluorobenzene radical anion, as studied by optically detected ESR spectroscopy and quantum chemistry
Russian Chemical Bulletin. 2013. V.62. N11. P.2311-2316. DOI: 10.1007/s11172-013-0335-3 WOS Scopus РИНЦ
Structural features of 1,3,5-trifluorobenzene radical anion, as studied by optically detected ESR spectroscopy and quantum chemistry
Russian Chemical Bulletin. 2013. V.62. N11. P.2311-2316. DOI: 10.1007/s11172-013-0335-3 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Блинкова С.В.
, Барлукова М.М.
, Щеголева Л.Н.
, Береговая И.В.
, Багрянский В.А.
, Молин Ю.Н.
Изучение структурных особенностей анион-радикала 1,3,5-трифторбензола методами оптически детектируемого эпр и квантовой химии
Известия Академии наук. Серия химическая.(RUSS CHEM B+). 2013. №11. С.2311. РИНЦ
Изучение структурных особенностей анион-радикала 1,3,5-трифторбензола методами оптически детектируемого эпр и квантовой химии
Известия Академии наук. Серия химическая.(RUSS CHEM B+). 2013. №11. С.2311. РИНЦ
Dates:
Published print: | Nov 1, 2013 |
Published online: | Jul 27, 2014 |
Identifiers:
Web of science | WOS:000339729700005 |
Scopus | 2-s2.0-84906748774 |
Elibrary | 23978678 |
OpenAlex | W2052286302 |