Structural nonrigidity of 9,9,10-trimethyland 4,5,9,9,10-pentamethylphenanthrenylium ions

Structural nonrigidity of 9,9,10-trimethyland 4,5,9,9,10-pentamethylphenanthrenylium ions Научная публикация

Журнал

Russian Journal of Organic Chemistry
ISSN: 1070-4280 , E-ISSN: 1608-3393

Вых. Данные

Год: 2010, Том: 46, Номер: 4, Страницы: 520-527 Страниц : 8 DOI: 10.1134/S1070428010040123

Авторы

Bushmelev V.A. ¹ , Genaev A.M. ¹ , Sal'nikov G.E. ¹ , Shubin V.G. ¹

Организации

1	(Данные Web of science) Russian Acad Sci, Siberian Div, Vorozhtsov Novosibirsk Inst Organ Chem, Novosibirsk 630090, Russia

DFT quantum-chemical calculations predicted structural nonrigidity of 9,9,10-trimethyl- and 4,5,9,9,10-pentamethylphenanthrenylium ions. The cross section of the potential energy surface at the nonrigidity coordinate for the first of these ions is symmetric, and for the second, asymmetric. These results were confirmed experimentally: the C-13 NMR spectra of 4,5,9,9,10-pentamethylphenanthrenylium showed considerable temperature dependence of chemical shifts which is not typical of 9,9,10-trimethylphenanthrenylium.

Bushmelev V.A. , Genaev A.M. , Sal'nikov G.E. , Shubin V.G.
Structural nonrigidity of 9,9,10-trimethyland 4,5,9,9,10-pentamethylphenanthrenylium ions
Russian Journal of Organic Chemistry. 2010. V.46. N4. P.520-527. DOI: 10.1134/S1070428010040123 WOS Scopus РИНЦ

Опубликована в печати:	1 апр. 2010 г.
Опубликована online:	8 мая 2010 г.

Web of science	WOS:000277449700012
Scopus	2-s2.0-77952475294
РИНЦ	15334207
OpenAlex	W2092419754