Adducts AnC60Hn: Electro-optical properties and quantum chemical calculation data

Experimental studies of electro-optical Kerr effect in solution detect variations in the molecular behavior of adducts AnC 60Hn (n=1, 2...6) synthesized by fullerene reactions with the charged (lithium precursor) and neutral (primary amine) nucleophiles. Theoretical analysis of two corresponding structure compounds (adducts A1 and A2) performed by quantum chemical semi-empirical method AM1 shows a difference in the charge distribution for A1 and A2 and a significant difference in polarity of adducts A1 and A2 with the same addend numbers, which may be responsible for the observed peculiarities in electro-optical behavior of styrene-fullerene and amine-fullerene derivatives.

Авторы
Yevlampieva N.P.1, 3 , Sheka E.F. 2
Сборник материалов конференции
Номер выпуска
2-3
Язык
Английский
Страницы
343-348
Статус
Опубликовано
Том
14
Год
2006
Организации
  • 1 V.A. Fock Institute of Physics, St. Petersburg State University, St. Petersburg, Russian Federation
  • 2 Peoples' Friendship University, Russian Federation, Moscow, Russian Federation
  • 3 V.A. Fock Institute of Physics, St. Petersburg State University, 1 Ulyanovskaya Str., St. Petersburg 198504, Russian Federation
Ключевые слова
Electro-optical Kerr effect; Fullerene C60 adducts; Quantum chemical semi-empirical method AM1
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/3307/