Two Isomers of C60 F48 : An Indented Fullerene

Angew Chem Int Ed Engl. 2001 Jun 18;40(12):2285-2287. doi: 10.1002/1521-3773(20010618)40:12<2285::AID-ANIE2285>3.0.CO;2-Y.

Abstract

Deflated buckyballs: The single-crystal structure of C60 F48 ⋅2 (mesitylene) revealed the presence of both D3 and S6 isomers in the same crystal. C(sp2 )-C(sp2 ) bonds (1.30 Å) are much shorter than C(sp3 )-C(sp3 ) bonds (1.54-1.63 Å). The C60 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 C60 F48 .

Keywords: fluorine; fullerenes; polyaddition; structure elucidation.