Reactivity and electronic structure of the ground and excited states of oxazole, 2-phenyloxazole, and 2-phenylthiazole

The relationship of the electronic structure of oxazole, 2-phenyloxazole, and 2-phenylthiazole to the properties of the electronic excited states and transitions is examined. Spectral properties of these compounds in the free state (no effect from external perturbations) and in complexes with the proton and aprotic acids are measured and calculated by quantum-chemical PPP/S (π-approximation) and INDO/S (sp-basis) methods. Features of the electronic excitation of the atoms and the vibronic interaction of bonds in the singlet and triplet states are examined for a change of the various structural forms of azoles, which determine their spectral fluorescence properties and reactivity. Possible direction control of reactions and optimized syntheses of new compounds with given properties are discussed based on a study of the properties of the ground and excited states. ©1999 KluwerAcademic/Plenum Publishers.

Авторы
Obukhov A.E. 1 , Belen'kii L.I.2
Редакторы
-
Издательство
Латвийский институт органического синтеза Латвийской академии наук / Springer New York Consultants Bureau
Номер выпуска
7
Язык
Английский
Страницы
832-854
Статус
Опубликовано
Подразделение
-
Номер
-
Том
35
Год
1999
Организации
  • 1 Russian Peoples' Friendship University, Moscow 117302, Russian Federation
  • 2 N. D. Zelinsty Institute of Organic Chemistry, Russian Academy of Sciences, Moscow 117913, Russian Federation
Ключевые слова
-
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/597/