화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.99, No.25, 10114-10117, 1995
EPR-Spectra of Partially Fluorinated Alkyl-C-60 Radicals and a Theoretical-Study of Interactions on the C-60 Surface
The EPR spectra of seven partially fluorinated derivatives of methyl-, ethyl-, and isopropyl-C-60 radicals have been studied. The equilibrium configuration of-each was deduced from their proton and F-19 hyperfine interactions. if one or more of the hydrogens of CH3Cl60 are replaced by CF3, F, or CH3, there is a competition among them for the position over the pentagon adjacent to the C-C-60 bond. The order CF3 > F > H > CH3 follows closely their respective inductive effect parameters ar. Quantum chemical calculations at the INDO/UHF level have been used to rationalize this hierarchy in terms of charge separation on the C-60 surface.