Abstract: By the method RI-MP2/L1 nitrosonium complexes were explored of 1-methylcytosine and 9-methylguanine, structural analogs of nucleotide bases cytosine and guanine, as well as of their complementary pair. The addition of a nitrosonium cation to the molecules of these compounds and to their pair leads to the formation of various types of nitrosonium complexes (1 eta-3 eta). n-Complexes with the coordination of NO+ cation to nitrogen and oxygen atoms are commonly more feasible in energy as compared with pi-complexes. The complex with cation NO+ coordinated at the oxygen atom of the carbonyl group and N-7 atom of the guanine fragment of the pair corresponds to the global minimum on the potential energy surface. The energy gain at the interaction of nitrosonium complexes of 1-methylcytosine and 9-methylguanine with 9-methylguanine and 1-methylcytosine respectively is usually larger than at the formation of a neutral pair 1-methylcytosine-9-methylguanine.

Cite: Andreev R.V. , Borodkin G.I. , Shubin V.G.
Quantum-chemical investigation of nitrosonium complexes of complementary pair 1-methylcytosine-9-methylguanine
Russian Journal of Organic Chemistry. 2015. V.51. N5. P.664-669. DOI: 10.1134/S1070428015050140 WOS Scopus РИНЦ

ArticleLinkType.TRANSLATED_TO_ORIGINAL: Андреев Р.В. , Бородкин Г.И. , Шубин В.Г.
Квантово-химическое изучение нитрозониевых комплексов комплементарной пары 1-метилцитозин-9-метилгуанин
Журнал органической химии (RUSS J ORG CHEM+). 2015. Т.51. №5. С.683-688. РИНЦ

Dates:

Published print:	May 1, 2015
Published online:	Jun 26, 2015

Identifiers:

Web of science	WOS:000356932400014
Scopus	2-s2.0-84933036344
Elibrary	24052095
OpenAlex	W2277098946

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