The infrared spectrum of protonated buckminsterfullerene, C60H+

Abstract

Although fullerenes have long been hypothesized to occur in interstellar environments, their actual unambiguous spectroscopic identification is of more recent date. C60, C70 and C60+ now constitute the largest molecular species individually identified in the interstellar medium (ISM). Fullerenes have significant proton affinities and it was suggested that C60H+ is likely the most abundant interstellar analogue of C60. We present here the first laboratory infrared (IR) spectrum of gaseous C60H+. Symmetry breaking relative to C60 produces an IR spectrum that is much richer than that of C60. The experimental spectrum is used to benchmark theoretical spectra indicating that the B3LYP density functional with the 6-311+G(d,p) basis set accurately reproduces the spectrum. Comparison with IR emission spectra from two planetary nebulae, SMP LMC56 and SMC16, that have been associated with high C60 abundances, indicate that C60H+ is a plausible contributor to their IR emission.

arXiv comment9 pages, 4 figures

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• Hydrogenated Fullerenes (Fulleranes) in Space
• Efficiency of the top-down PAH-to-fullerene conversion in UV irradiated environments
• Towards a reliable prediction of the infrared spectra of cosmic fullerenes and their derivatives in the JWST era
• Anharmonic infrared spectra of cationic pyrene and superhydrogenated derivatives