Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle | Sciact

Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle Научная публикация

Журнал

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

Вых. Данные

Год: 2019, Том: 60, Номер: 3, Страницы: 373-376 Страниц : 4 DOI: 10.1134/S0022476619030041

Ключевые слова

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

Авторы

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

Организации

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 OpenAlex

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 OpenAlex

Опубликована в печати:	1 мар. 2019 г.
Опубликована online:	6 мая 2019 г.

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

Пока нет цитирований