Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study

Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study Full article

Journal

Applied Magnetic Resonance
ISSN: 0937-9347 , E-ISSN: 1613-7507

Output data

Year: 2011, Volume: 41, Number: 2-4, Pages: 229-238 Pages count : 10 DOI: 10.1007/s00723-011-0265-x

Authors

Blinkova S.V. ¹ , Shchegoleva L.N. ² , Beregovaya I.V. ² , Vyushkova M.M. ¹ , Bagryansky V.A. ¹ , Molin Yu.N. ¹

Affiliations

1	(Данные Web of science) Russian Acad Sci, Inst Chem Kinet & Combust, Siberian Branch, Novosibirsk 630090, Russia
2	(Данные Web of science) Russian Acad Sci, Siberian Branch, NN Vorozhtsov Novosibirsk Inst Organ Chem, Novosibirsk 630090, Russia

A previously unknown electron paramagnetic resonance (EPR) spectrum of the 1,2,4-trifluorobenzene radical anion in liquid solution in nonpolar solvent has been obtained by means of the optically detected EPR technique. On the basis of quantum chemical calculations, the observed fluorine hyperfine coupling values and their temperature dependence have been interpreted as a consequence of fast conformational exchange among different nonplanar structures.

Blinkova S.V. , Shchegoleva L.N. , Beregovaya I.V. , Vyushkova M.M. , Bagryansky V.A. , Molin Y.N.
Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study
Applied Magnetic Resonance. 2011. V.41. N2-4. P.229-238. DOI: 10.1007/s00723-011-0265-x WOS Scopus РИНЦ

Published online:	Sep 23, 2011
Published print:	Dec 1, 2011

Web of science	WOS:000299295600010
Scopus	2-s2.0-81155133406
Elibrary	18013840
OpenAlex	W2026714087