Quantum-chemical study on adenine 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: 2012, Volume: 48, Number: 10, Pages: 1337-1344 Pages count : 8 DOI: 10.1134/S1070428012100144 | ||
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Abstract:
Adenine complexes with nitrosonium ion have been studied by the RI-MP2/L1 quantum-chemical method. Addition of nitrosonium ion to adenine tautomers produces a set of nitrosonium complexes of different types (1 eta-3 eta). n-Complexes involving NO+ coordination to nitrogen atoms are more energetically favorable than pi-complexes. The global minimum on the potential energy surface is occupied by the complex of 7H-adenine tautomer with nitrosonium ion coordinated at the N-3 atom.
Cite:
Andreev R.V.
, Borodkin G.I.
, Shubin V.G.
Quantum-chemical study on adenine nitrosonium complexes
Russian Journal of Organic Chemistry. 2012. V.48. N10. P.1337-1344. DOI: 10.1134/S1070428012100144 WOS Scopus РИНЦ OpenAlex
Quantum-chemical study on adenine nitrosonium complexes
Russian Journal of Organic Chemistry. 2012. V.48. N10. P.1337-1344. DOI: 10.1134/S1070428012100144 WOS Scopus РИНЦ OpenAlex
Original:
Андреев Р.В.
, Бородкин Г.И.
, Шубин В.Г.
Квантово-химическое изучение нитрозониевых комплексов аденина
Журнал органической химии (RUSS J ORG CHEM+). 2012. Т.48. №10. С.1342-1349. РИНЦ
Квантово-химическое изучение нитрозониевых комплексов аденина
Журнал органической химии (RUSS J ORG CHEM+). 2012. Т.48. №10. С.1342-1349. РИНЦ
Dates:
| Published print: | Oct 1, 2012 |
| Published online: | Nov 7, 2012 |
Identifiers:
| Web of science: | WOS:000310813000014 |
| Scopus: | 2-s2.0-84870490494 |
| Elibrary: | 20495241 |
| OpenAlex: | W2085034828 |