Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water
نویسندگان
چکیده
منابع مشابه
Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water
C60 fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C60 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 suppor...
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School of Chemistry and Molecular Sciences University of Sussex, Brighton BN1 9QJ, UK Institute for Polymers and Organic Solids and Materials Research Laboratory, University of California, Santa Barbara, California 93106 IBM Research Division, Zurich Research Laboratory 8803 Rüschlikon, Switzerland; Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy European Synchrotron Radiati...
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The synthesis of azafullerene C59N is realized through a nitrogen plasma irradiation method, which is confirmed by the analysis of mass spectroscopy. A plasma consisting of a fullerene negative ion C60 and the azafullerene positive ion C59N��C60-C59N plasma��is generated by means of an electron beam ionization. C60 and C59N ions are selectively irradiated to single-walled carbon nanotubes (SWNT...
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Electron spin resonance and ab initio electronic structure calculations show an intricate relation between molecular rotation and chemical bonding in the dilute solid solution. The unpaired electron of C59N is delocalized over several C60 molecules above 700 K, while at lower temperatures it remains localized within short range. The data suggest that below 350 K rigid C59N-C60 heterodimers are ...
متن کاملA comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives.
The core-hole excitation spectra-near-edge x-ray absorption spectroscopy (NEXAFS), x-ray emission spectroscopy (XES), and x-ray photoelectron spectroscopy (XPS) shake-up satellites have been simulated at the level of density functional theory for the azafullerene C59N and its derivatives (C59N)(+), C59HN, (C59N)2, and C59N-C60, in which the XPS shake-up satellites were simulated using our devel...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2016
ISSN: 2045-2322
DOI: 10.1038/srep35605