Quantum chemical study of nitrosonium complexes of the 9-methyladenine-1-methylthymine complementary pair. Structure and dynamics Научная публикация
| Журнал |
Russian Journal of Organic Chemistry
ISSN: 1070-4280 , E-ISSN: 1608-3393 |
||||
|---|---|---|---|---|---|
| Вых. Данные | Год: 2015, Том: 51, Номер: 7, Страницы: 1008-1015 Страниц : 8 DOI: 10.1134/S1070428015070192 | ||||
| Авторы |
|
||||
| Организации |
|
Реферат:
Nitrosonium complexes of 1-methylthymine and 9-methyladenine, as well as of their complementary pair, have been studied at the RI-MP2/L1 level of theory. The addition of nitrosonium ion to molecules of these compounds or their H-bonded pair gives a set of nitrosonium complexes of different types (1 eta-3 eta). The complex with the NO+ ion coordinated to N-3 of the adenine moiety corresponds to the global minimum on the potential energy surface. The gain in energy in the interaction of nitrosonium complexes of 1-methylthymine and 9-methyladenine with 9-methyladenine and 1-methylthymine, respectively, is larger than in the formation of a neutral 9-methyladenine-1-methylthymine couple. Specific structural features and dynamics of the nitrosonium complexes are discussed.
Библиографическая ссылка:
Andreev R.V.
, Borodkin G.I.
, Shubin V.G.
Quantum chemical study of nitrosonium complexes of the 9-methyladenine-1-methylthymine complementary pair. Structure and dynamics
Russian Journal of Organic Chemistry. 2015. V.51. N7. P.1008-1015. DOI: 10.1134/S1070428015070192 WOS Scopus РИНЦ OpenAlex
Quantum chemical study of nitrosonium complexes of the 9-methyladenine-1-methylthymine complementary pair. Structure and dynamics
Russian Journal of Organic Chemistry. 2015. V.51. N7. P.1008-1015. DOI: 10.1134/S1070428015070192 WOS Scopus РИНЦ OpenAlex
Оригинальная:
Андреев Р.В.
, Бородкин Г.И.
, Шубин В.Г.
Квантово-химическое изучение нитрозониевых комплексов комплементарной пары 9-метиладенин-1-метилтимин. строение и динамика
Журнал органической химии (RUSS J ORG CHEM+). 2015. Т.51. №7. С.1026-1033. РИНЦ
Квантово-химическое изучение нитрозониевых комплексов комплементарной пары 9-метиладенин-1-метилтимин. строение и динамика
Журнал органической химии (RUSS J ORG CHEM+). 2015. Т.51. №7. С.1026-1033. РИНЦ
Даты:
| Опубликована в печати: | 1 июл. 2015 г. |
| Опубликована online: | 14 авг. 2015 г. |
Идентификаторы БД:
| Web of science: | WOS:000359555800019 |
| Scopus: | 2-s2.0-84939445789 |
| РИНЦ: | 24421334 |
| OpenAlex: | W2260098388 |