Bonding mechanism in the transition-metal fullerides studied by symmetry-selective resonant x-ray inelastic scattering - art. no. 085418

摘要

The bonding between titanium atoms and C-60 has been examined by means of resonant inelastic x-ray scattering. Using the symmetry-selection rules in the scattering process the symmetry of the orbitals involved in the bond formation was determined. It was found that the lowest unoccupied states are due to hybridization between the highest occupied orbital of C-60 and Ti orbitals. A comparison between experimental and theoretical results indicates Ti bonding to the six-ring site. The method can be used to probe bonding between metal atoms and organic molecules in general. [References: 17]