C60F18O: Isolation, spectroscopic characterisation and structural calculations

Abstract

C₆₀F₁₈O, obtained as a byproduct of fluorination of [60]fullerene with K₂PtF₆, has C_s symmetry, the oxygen being located in one of the symmetry planes of C_3v C₆₀F₁₈. C₆₀F₂₀, isolated in low yield, also has C_s symmetry arising from addition of F₂ either across or (more probably) in the symmetry plane of C₆₀F₁₈. The results are compared with theoretical predictions of the structures. C₆₀F₁₈·CF₂ has also been obtained as a byproduct of the production of C₆₀F₁₈ and provides further confirmation of the parallel between fluorination and hydrogenation (which correspondingly gives methylene adducts), the adducts being produced by cage fragmentation in each case. A 790 amu species (as yet uncharacterised but which may be either C₆₀F₂O₂ or C₆₀CF₃H) is detected in some samples.