Electrochemical behavior of C60(CF2)n, n= 1, 2 and C60(CCl2) has been investigated. [6,6]-Opened C60(CF2) and cis-2-C60(CF2)2 exhibit reversible reductions at potentials 150 and 145 mV more positive than C60, unlike the related [6,6]-closed C60(CCl2), which shows reduction at the potential close to that for C60. The structures, electron localization and lifetimes of the observed radical anions C60(CF2)−˙ and cis-2-C60(CF2)2−˙ have been elucidated by the ESR study and DFT calculations. The protonation pathway of decay of C60(CF2)−˙ yields [6,6]-opened 1,9-dihydro-(1a,1a-difluoro-1aH-1(9)a-homo(C60-Ih)fullerene, C60(CF2)H2, which becomes the first characterized derivative of [6,6]-opened C60(CF2). DFT calculations of the structure and electron affinity of a number of homofullerene structures have been carried out to rationalize the experimental findings.
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