Quantum-chemical study on cytosine nitrosonium complexes

Quantum-chemical study on cytosine nitrosonium complexes Full article

Journal

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

Output data

Year: 2013, Volume: 49, Number: 3, Pages: 432-438 Pages count : 7 DOI: 10.1134/S1070428013030202

Authors

Andreev R.V. ¹ , Borodkin G.I. ¹ , Shubin V.G. ¹

Affiliations

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

Cytosine complexes with nitrosonium ion were studied by the RI-MP2/L1 method. Addition of nitrosonium ion to cytosine tautomers leads to formation of a set of nitrosonium complexes with different structures (1 eta-3 eta). n-Complexes formed via NO+ coordination to the nitrogen and oxygen atoms are energetically more favorable than pi-complexes. The complex of cytosine as 4-aminopyrimidin-2(1H)-one tautomer with nitrosonium ion coordinated to the carbonyl oxygen atom occupies the global minimum on the potential energy surface. Structural features of the complexes are discussed.

Andreev R.V. , Borodkin G.I. , Shubin V.G.
Quantum-chemical study on cytosine nitrosonium complexes
Russian Journal of Organic Chemistry. 2013. V.49. N3. P.432-438. DOI: 10.1134/S1070428013030202 WOS Scopus РИНЦ

Андреев Р.В. , Бородкин Г.И. , Шубин В.Г.
Квантово-химическое изучение нитрозониевых комплексов цитозина
Журнал органической химии (RUSS J ORG CHEM+). 2013. Т.49. №3. С.444-450. РИНЦ

Published print:	Mar 1, 2013
Published online:	Apr 6, 2013

Web of science	WOS:000317353500020
Scopus	2-s2.0-84879613574
Elibrary	20442189
OpenAlex	W1963948716