Quantum-chemical study on cytosine nitrosonium complexes 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: 2013, Volume: 49, Number: 3, Pages: 432-438 Pages count : 7 DOI: 10.1134/S1070428013030202 | ||
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Abstract:
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.
Cite:
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 OpenAlex
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 OpenAlex
Original:
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
Квантово-химическое изучение нитрозониевых комплексов цитозина
Журнал органической химии (RUSS J ORG CHEM+). 2013. Т.49. №3. С.444-450. РИНЦ
Dates:
| Published print: | Mar 1, 2013 |
| Published online: | Apr 6, 2013 |
Identifiers:
| Web of science: | WOS:000317353500020 |
| Scopus: | 2-s2.0-84879613574 |
| Elibrary: | 20442189 |
| OpenAlex: | W1963948716 |