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Issue 48, 2008
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Electrochemical, ESR and theoretical studies of [6,6]-opened C60(CF2), cis-2-C60(CF2)2 and their anions

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Abstract

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.

Graphical abstract: Electrochemical, ESR and theoretical studies of [6,6]-opened C60(CF2), cis-2-C60(CF2)2 and their anions

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Publication details

The article was received on 12 Jun 2008, accepted on 03 Sep 2008 and first published on 24 Oct 2008


Article type: Paper
DOI: 10.1039/B809957J
Dalton Trans., 2008, 6886-6893

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    Electrochemical, ESR and theoretical studies of [6,6]-opened C60(CF2), cis-2-C60(CF2)2 and their anions

    A. A. Goryunkov, E. S. Kornienko, T. V. Magdesieva, A. A. Kozlov, V. A. Vorobiev, S. M. Avdoshenko, I. N. Ioffe, O. M. Nikitin, V. Yu. Markov, P. A. Khavrel, A. Kh. Vorobiev and L. N. Sidorov, Dalton Trans., 2008, 6886
    DOI: 10.1039/B809957J

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