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C 60  fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C 60  and (C 59 N) 2  azafullerenes are characterized using X-ray microscopy with near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, closely coupled with density functional theory (DFT) calculations. This is supported with X-ray photoelectron spectroscopy (XPS) measurements and associated core-level shift DFT calculations. We compare the oxygen 1 s  spectra from oxygen impurities in C 60  and C 59 N, and calculate a range of possible oxidized and hydroxylated structures and associated formation barriers. These results allow us to propose a model for the oxygen present in these samples, notably the importance of water surface adsorption and possible ice formation. Water adsorption on C 60  crystal surfaces may prove important for astrobiological studies of interstellar amino acid formation.

Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water