High-resolution soft X-ray emission and absorption spectra in the C K regio
n of hydrofullerene, which probably consists mainly of C60H36, were measure
d using highly brilliant synchrotron radiation to identify its molecular st
ructure and electronic structure. Comparison with the C2p-DOS spectra, calc
ulated by discrete variational (DV) X alpha molecular orbital calculations,
of three possible C60H36 isomers, showed that the measured X-ray spectra a
pproximately agreed with the calculated C2p-DOS spectra of the T-symmetry i
somer. The X-ray spectral features were explained by the electronic structu
re hybridized between the sp(2) and sp(3) carbon atoms of the T-symmetry C6
0H36. (C) 2000 Elsevier Science B.V. All rights reserved.