Synthesis, Structure, and Theoretical Study of Lower Trifluoromethyl Derivatives of [60]Fullerene

Abstract

Abstract A number of C 60 (CF 3 ) n compounds with n = 2–10 have been synthesized by the reaction of C 60 with silver trifluoroacetate and successfully isolated by means of HPLC. This resulted in the first crystal structure determination of six lower trifluoromethyl derivatives with n = 2 (single isomer), 4 (two isomers), and 6 (three isomers). A kinetic model of sequential trifluoromethylation based on the Bell–Evans–Polanyi principle has been used to explain the experimentally observed isomeric distribution in the mixtures of C 60 (CF 3 ) n compounds up to n = 6. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)