Electrochemical, ESR and theoretical studies of [6,6]-opened C-60(CF2), cis-2-C-60(CF2)(2) and their anionsстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:Electrochemical behavior of C-60(CF2)(n), n = 1, 2 and C-60(CCl2) has been investigated. [6,6]-Opened C-60(CF2) and cis-2-C-60(CF2)(2) exhibit reversible reductions at potentials 150 and 145 mV more positive than C-60, unlike the related [6,6]-closed C-60(CCl2), which shows reduction at the potential close to that for C-60. The structures, electron localization and lifetimes of the observed radical anions C-60(CF2)(-center dot) and cis-2-C-60(CF2)(2)(-center dot) have been elucidated by the ESR study and DFT calculations. The protonation pathway of decay of C-60(CF2)(-center dot) yields [6,6]-opened 1,9-dihydro-(1a, 1a-difluoro-1aH-1(9)a-homo(C-60-I-h) fullerene, C-60(CF2)H-2, which becomes the first characterized derivative of [6,6]-opened C-60(CF2). DFT calculations of the structure and electron affinity of a number of homofullerene structures have been carried out to rationalize the experimental findings.