The model of 1,3-dipolar cycloaddition reaction of 4,5-dihydro-1 H-imidazole 3-oxide derivatives with alkynes Научная публикация
| Журнал |
Journal of Molecular Structure
ISSN: 0022-2860 , E-ISSN: 1872-8014 |
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| Вых. Данные | Год: 2008, Том: 872, Номер: 1, Страницы: 30-39 Страниц : DOI: 10.1016/j.molstruc.2007.02.015 | ||||
| Ключевые слова | 1,3-dipolar cycloaddition; kinetics; DFT calculation; nitrones; alkynes | ||||
| Авторы |
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| Организации |
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Реферат:
The influence of solvents and different structural factors on the rate of 1,3-dipolar cycloaddition reaction of the 4,5-dihydro-1H-imidazole 3-oxide derivatives with alkynes have been studied. Nitrones and alkynes have been ranged by their relative activity in this reaction. Using the DFT calculation with the triple zets basis set, the energy profile of the reaction has been plotted, and the structures and energy characteristics of the transition states have been determined. The mechanism of this reaction has been shown to be concerted and asynchronous. The validity of the used computational approach for the detailed investigation of 1,3-dipolar cycloaddition of nitrones has been demonstrated. (c) 2007 Elsevier B.V. All rights reserved.
Библиографическая ссылка:
Popov S.A.
, Romanenko G.V.
, Reznikov V.A.
The model of 1,3-dipolar cycloaddition reaction of 4,5-dihydro-1 H-imidazole 3-oxide derivatives with alkynes
Journal of Molecular Structure. 2008. V.872. N1. P.30-39. DOI: 10.1016/j.molstruc.2007.02.015 WOS Scopus РИНЦ OpenAlex
The model of 1,3-dipolar cycloaddition reaction of 4,5-dihydro-1 H-imidazole 3-oxide derivatives with alkynes
Journal of Molecular Structure. 2008. V.872. N1. P.30-39. DOI: 10.1016/j.molstruc.2007.02.015 WOS Scopus РИНЦ OpenAlex
Даты:
| Опубликована в печати: | 1 янв. 2008 г. |
Идентификаторы БД:
| Web of science: | WOS:000253100900005 |
| Scopus: | 2-s2.0-36048929905 |
| РИНЦ: | 13565910 |
| OpenAlex: | W2009178258 |