Quantum-chemical study on uracil and thymine nitrosonium complexes Full article
| Journal |
Russian Journal of Organic Chemistry
ISSN: 1070-4280 , E-ISSN: 1608-3393 |
||
|---|---|---|---|
| Output data | Year: 2012, Volume: 48, Number: 9, Pages: 1216-1221 Pages count : 6 DOI: 10.1134/S1070428012090114 | ||
| Authors |
|
||
| Affiliations |
|
Abstract:
Quantum-chemical calculations at the RI-MP2/L1 level of theory showed that the most energetically favorable complexes of uracil and thymine with nitrosonium cation are those of n-type with NO+ coordination at the nitrogen or oxygen atom. A correlation was found between the experimental and calculated affinities of the dioxo tautomer of thymine for nitrosonium ion (). A linear relation was revealed between values for structurally similar tautomers of uracil and thymine.
Cite:
Andreev R.V.
, Borodkin G.I.
, Shubin V.G.
Quantum-chemical study on uracil and thymine nitrosonium complexes
Russian Journal of Organic Chemistry. 2012. V.48. N9. P.1216-1221. DOI: 10.1134/S1070428012090114 WOS Scopus РИНЦ
Quantum-chemical study on uracil and thymine nitrosonium complexes
Russian Journal of Organic Chemistry. 2012. V.48. N9. P.1216-1221. DOI: 10.1134/S1070428012090114 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Андреев Р.В.
, Бородкин Г.И.
, Шубин В.Г.
Квантово-химическое изучение нитрозониевых комплексов урацила и тимина
Журнал органической химии (RUSS J ORG CHEM+). 2012. Т.48. №9. С.1217-1222. РИНЦ
Квантово-химическое изучение нитрозониевых комплексов урацила и тимина
Журнал органической химии (RUSS J ORG CHEM+). 2012. Т.48. №9. С.1217-1222. РИНЦ
Dates:
| Published print: | Sep 1, 2012 |
| Published online: | Oct 10, 2012 |
Identifiers:
| Web of science | WOS:000309724000011 |
| Scopus | 2-s2.0-84868553128 |
| Elibrary | 20489446 |
| OpenAlex | W2068312310 |