Two Isomers of C(60)F(48): An Indented Fullerene This work was supported by the Russian Program "Fullerenes and Atomic Clusters" and RFBR (grant 99-15-96044m). We are grateful to Dr. D. N. Laikov (Organic Chemistry Institute, Zurich University) and the High-Performance Computing Center of the Chemistry Department of the Moscow State University for their assistance in performing calculations. - Concepedia

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Two Isomers of C(60)F(48): An Indented Fullerene This work was supported by the Russian Program "Fullerenes and Atomic Clusters" and RFBR (grant 99-15-96044m). We are grateful to Dr. D. N. Laikov (Organic Chemistry Institute, Zurich University) and the High-Performance Computing Center of the Chemistry Department of the Moscow State University for their assistance in performing calculations.

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2001

Year

S.I. Troyanov, Pavel A. Troshin, Olga V. Boltalina, Ilya N. Ioffe, Erhard Kemnitz

Abstract

Deflated buckyballs: The single-crystal structure of C<sub>60</sub> F<sub>48</sub> ⋅2 (mesitylene) revealed the presence of both D<sub>3</sub> and S<sub>6</sub> isomers in the same crystal. C(sp<sup>2</sup> )-C(sp<sup>2</sup> ) bonds (1.30 Å) are much shorter than C(sp<sup>3</sup> )-C(sp<sup>3</sup> ) bonds (1.54-1.63 Å). The C<sub>60</sub> cage is characterized by concave areas in the regions of six double bonds. Each double bond is effectively shielded by four F atoms, which accounts for the low reactivity of C<sub>60</sub> F<sub>48</sub> .