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Equilibrium configurations of fluoromethyl-C60 radicals. An EPR and theoretical study of interactions with the C60 surface

✍ Scribed by J.R. Morton; F. Negri; K.F. Preston

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 412 KB
Volume: 232
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01334-r

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✦ Synopsis

The EPR spectra of CH2FC6o and CHF2C6o are presented, and the dominant conformer for each species identified. It is suggested that the equilibrium configurations of fluoromethyl-C6o radicals are determined not by steric effects, but by Coulombic interactions between highly polarizable fluorine atoms and the C60 surface. The dominant effect appears to be a preference for the conformation in which a fluorine atom lies over the pentagon adjacent to the point of attachment of the CHnF3-n ( 3/> n/> 0) ligand. These effects are discussed on the basis of semi-empirical calculations of the equilibrium structures and charge distributions on the C6o surface.

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