Реферат: for the first time the question is raised concerning the effect of ion-molecular associations on the structural flexibility of radical ions of aromatic compounds with respect to pseudorotation. It is shown within the DFT method that the complex structure of the potential energy surface and structural flexibility of the Jahn-Teller benzene cation are preserved during the formation of complexes with a hydrogen cyanide or acetonitrile molecule. The pseudorotation barrier of the radical cation in considered complexes depends on the relative orientation of particles and varies from 0.1 kcal/mol to similar to 2 kcal/mol.

Библиографическая ссылка: Beregovaya I.V. , Andreev R.V. , Shchegoleva L.N.
Pseudorotation of the Benzene Radical Cation Associated with HCN or CH3CN Molecules
Journal of Structural Chemistry. 2019. V.60. N10. P.1578-1583. DOI: 10.1134/S0022476619100020 WOS Scopus РИНЦ OpenAlex

Оригинальная: Береговая И.В. , Андреев Р.В. , Щеголева Л.Н.
Псевдовращение катион-радикала бензола, ассоциированного с молекулой HCN или CH3CN
Журнал структурной химии (J STRUCT CHEM+). 2019. Т.60. №10. С.1643-1648. DOI: 10.26902/JSC_id47027 РИНЦ OpenAlex

Даты:

Опубликована в печати:	1 окт. 2019 г.
Опубликована online:	5 нояб. 2019 г.

Идентификаторы БД:

Web of science:	WOS:000494481800002
Scopus:	2-s2.0-85074612427
РИНЦ:	41680207
OpenAlex:	W2985707367

Цитирование в БД:

БД	Цитирований
Web of science	1
Scopus	1
РИНЦ	1
OpenAlex	1

Альметрики: