Quantum chemical study of nitrosonium complexes of the 9-methyladenine-1-methylthymine complementary pair. Structure and dynamics Full article
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Russian Journal of Organic Chemistry
ISSN: 1070-4280 , E-ISSN: 1608-3393 |
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| Output data | Year: 2015, Volume: 51, Number: 7, Pages: 1008-1015 Pages count : 8 DOI: 10.1134/S1070428015070192 | ||||
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Abstract:
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.
Cite:
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
Original:
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
Dates:
| Published print: | Jul 1, 2015 |
| Published online: | Aug 14, 2015 |
Identifiers:
| Web of science: | WOS:000359555800019 |
| Scopus: | 2-s2.0-84939445789 |
| Elibrary: | 24421334 |
| OpenAlex: | W2260098388 |