INFLUENCE OF FLUORINE ON INTERNAL-ROTATION IN SOME ALKENYL AROMATICS

Authors
KORONIAK H FIEDOROW P
Citation
H. Koroniak et P. Fiedorow, INFLUENCE OF FLUORINE ON INTERNAL-ROTATION IN SOME ALKENYL AROMATICS, Journal of molecular structure. Theochem, 417(3), 1997, pp. 203-213
Citations number
10
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
417
Issue
3
Year of publication
1997
Pages
203 - 213
Database
ISI
SICI code
0166-1280(1997)417:3<203:IOFOII>2.0.ZU;2-6
Abstract
The inhibition of rotation of perfluorinated and non-fluorinated alken yl groups in bis-substituted aromatics has been studied using molecula r mechanics and AM1 semiempirical methods. It was concluded that the s teric effect, due to the different size of the fluorine atom compared with the hydrogen atom, causes a significant inhibition of rotation of the fluorinated analogues. (C) 1997 Elsevier Science B.V.