Soft X-ray emission and absorption spectroscopy of hydrofullerene

Abstract

Abstract High-resolution soft X-ray emission and absorption spectra in the C K region of hydrofullerene, which probably consists mainly of C 60 H 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 60 H 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 60 H 36 .