Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle

Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle Full article

Journal

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Output data

Year: 2019, Volume: 60, Number: 3, Pages: 373-376 Pages count : 4 DOI: 10.1134/S0022476619030041

Tags

perfluorobenzocycloalkenes; method of time resolved magnetic field effects; radical anions; potential energy surface; pseudorotation; hyperfine interaction constants

Authors

Beregovaya I.V. ¹ , Shchegoleva L.N. ¹ , Borovkov V.I. ² , Karpov V.M. ¹

Affiliations

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

The method of time resolved magnetic field effects in the recombination fluorescence of spin-correlated radical ion pairs is used to detect for the first time the perfluorobenzocyclobutene radical anion. The quantum chemical analysis of the potential energy surface testifies that the particle is structurally flexible with respect to the pseudo-rotation coordinate. The calculated values of hyperfine interaction constants averaged over global minima are close to those estimated from the experimental data of time resolved magnetic field effects.

Beregovaya I.V. , Shchegoleva L.N. , Borovkov V.I. , Karpov V.M.
Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle
Journal of Structural Chemistry. 2019. V.60. N3. P.373-376. DOI: 10.1134/S0022476619030041 WOS Scopus РИНЦ

Береговая И.В. , Щеголева Л.Н. , Боровков В.И. , Карпов В.М.
Анион-радикал перфторбензоциклобутена - структурно нежесткая частица
Журнал структурной химии (J STRUCT CHEM+). 2019. Т.60. №3. С.392-395. DOI: 10.26902/JSC_id39468 РИНЦ

Published print:	Mar 1, 2019
Published online:	May 6, 2019

Web of science	WOS:000467129100004
Scopus	2-s2.0-85065441789
Elibrary	38697630
OpenAlex	W2944410105