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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
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
Authors Blinkova S. V. 1 , Vyushkova M. M. 1,2 , Shchegoleva L. N. 3 , Beregovaya I. V. 3 , Bagryansky V. A. 1 , Molin Yu. N. 1
Affiliations
1 (Данные Web of science) Russian Acad Sci, Siberian Branch, Voevodsky Inst Chem Kinet & Combust, Novosibirsk 630090, Russia
2 (Данные Web of science) Notre Dame Radiat Lab, Notre Dame, IN 46556 USA
3 (Данные Web of science) Russian Acad Sci, Siberian Branch, NN Vorozhtsov Novosibirsk Inst Organ Chem, Novosibirsk 630090, Russia

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 OpenAlex
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
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
Citing:
DB Citing
Web of science 2
Scopus 3
Elibrary 3
OpenAlex 3
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