Вид документа : Статья из журнала Шифр издания : 54/E 43 Автор(ы) : Torgashev P. A., Kazantseva I. V., Chupakhin O. N., Charushin V. N., Belik A. V. Заглавие : Electronic structure and properties of pteridines and N-alkylpteridinium salts [Электронный ресурс] Место публикации : Chemistry of Heterocyclic Compounds. - 1989. - Vol. 25, № 8. - С. 936-943 Систем. требования: http://link.springer.com/article/10.1007/BF00479617 Примечания : Bibliogr. : p. 942-943 (19 ref.). - 24.10.15 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): n-methylpteridinium cations--pteridinium cations Аннотация: The electronic structure of pteridines and N-methylpteridinium cations was calculated in terms of the CNDO/2 approximation. The obtained data on the electron density distribution in the molecules of pteridines and also the energy characteristics of the pteridinium cations make it possible to predict the outcome of quaternization. The results from the calculations are compared with the experimental data. It is shown that the direction of nucleophilic attack in N-alkylpteridinium cations correlates with the total charge of the fragment of the covalently bonded atoms Доп.точки доступа: Torgashev, P. A.; Kazantseva, I. V.; Chupakhin, O. N.; Charushin, V. N.; Belik, A. V.