Soft X-ray emission and absorption spectroscopy of hydrofullerene

High-resolution soft X-ray emission and absorption spectra in the C K region of hydrofullerene, which probably consists mainly of C 60H 36, were measured using highly brilliant synchrotron radiation to identify its molecular structure and electronic structure. Comparison with the C2p-DOS spectra, ca...

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Bibliographic Details
Published in:Journal of electron spectroscopy and related phenomena 2000-05, Vol.107 (2), p.177-184
Main Authors: Muramatsu, Yasuji, Ueno, Yuko, Hayashi, Takayoshi, Grush, Melissa M, Gullikson, Eric M, Perera, Rupert C.C
Format: Article
Language:English
Subjects:
ABSORPTION SPECTROSCOPY
ADVANCED LIGHT SOURCE
ADVANCED LIGHT SOURCE ALS
DV-Xα molecular orbital calculations
Electronic structure
Hydrofullerene
PARTICLE ACCELERATORS
SOFT X RADIATION
Synchrotron radiation
X-ray spectra
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Summary:High-resolution soft X-ray emission and absorption spectra in the C K region of hydrofullerene, which probably consists mainly of C 60H 36, were measured using highly brilliant synchrotron radiation to identify its molecular structure and electronic structure. Comparison with the C2p-DOS spectra, calculated by discrete variational (DV) Xα molecular orbital calculations, of three possible C 60H 36 isomers, showed that the measured X-ray spectra approximately agreed with the calculated C2p-DOS spectra of the T-symmetry isomer. The X-ray spectral features were explained by the electronic structure hybridized between the sp 2 and sp 3 carbon atoms of the T-symmetry C 60H 36.
ISSN:0368-2048
1873-2526
DOI:10.1016/S0368-2048(00)00101-8