Spectromicroscopy of C-60 and azafullerene C59N

Subtitle:Identifying surface adsorbed water
Authors/others:Erbahar, Dogan (Univ Nantes, Centre National de la Recherche Scientifique (CNRS), University of Nantes Angers Le Mans, University of Nantes, CNRS, Inst Mat Jean Rouxel); Susi, Toma; Rocquefelte, Xavier (Univ Nantes, Centre National de la Recherche Scientifique (CNRS), University of Nantes Angers Le Mans, University of Nantes, CNRS, Inst Mat Jean Rouxel); Bittencourt, Carla (University of Mons ); Scardamaglia, Mattia (University of Mons ); Blaha, Peter (Technische Universität Wien); Guttmann, Peter (Helmholtz-Zentrum Berlin für Materialien und Energie); Rotas, Georgios (National Hellenic Research Foundation); Tagmatarchis, Nikos (National Hellenic Research Foundation); Zhu, Xiaohui (McMaster University); Hitchcock, Adam P. (McMaster University); Ewels, Chris P. (Univ Nantes, Centre National de la Recherche Scientifique (CNRS), University of Nantes Angers Le Mans, University of Nantes, CNRS, Inst Mat Jean Rouxel)
Abstract: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 (C59N)(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 1s spectra from oxygen impurities in C-60 and C59N, 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.
Language:English
Number of pages:12
Date of publication:17.10.2016
Journal title:Scientific Reports
Volume:6
Peer reviewed:true
Links:
Digital Object Identifier (DOI):http://dx.doi.org/10.1038/srep35605
Publication Type:Article
Portal:https://ucris.univie.ac.at/portal/en/publications/spectromicroscopy-of-c60-and-azafullerene-c59n(187d8d7a-27b7-4356-86e2-3fef8bf72566).html