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.

Authors
Yevlampieva N.P.1, 3 , Sheka E.F. 2
Publisher
Taylor and Francis Inc.
Number of issue
2-3
Language
English
Pages
343-348
Status
Published
Volume
14
Year
2006
Organizations
  • 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
Keywords
Electro-optical Kerr effect; Fullerene C60 adducts; Quantum chemical semi-empirical method AM1
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/3307/
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