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 Научная публикация

Журнал

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

Вых. Данные

Год: 2011, Том: 41, Номер: 2-4, Страницы: 229-238 Страниц : 10 DOI: 10.1007/s00723-011-0265-x

Авторы

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

Организации

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

Опубликована online:	23 сент. 2011 г.
Опубликована в печати:	1 дек. 2011 г.

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