Bonding mechanism in the transition-metal fullerides studied by symmetry-selective resonant x-ray inelastic scattering

L. Qian; M. Nyberg; Y. Luo; J.-E. Rubensson; A. V. Talyzine; C. Såthe; D. Ding; J.-H. Guo; H. Högberg; T. Kämbre; U. Jansson; J. Nordgren

doi:10.1103/PhysRevB.63.085418

Bonding mechanism in the transition-metal fullerides studied by symmetry-selective resonant x-ray inelastic scattering

L. Qian, M. Nyberg, Y. Luo, J.-E. Rubensson, A. V. Talyzine, C. Såthe, D. Ding, J.-H. Guo, H. Högberg, T. Kämbre, U. Jansson, and J. Nordgren

Phys. Rev. B 63, 085418 – Published 7 February 2001

Abstract

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.

Received 17 October 2000

DOI:https://doi.org/10.1103/PhysRevB.63.085418

Authors & Affiliations

L. Qian¹, M. Nyberg², Y. Luo², J.-E. Rubensson¹, A. V. Talyzine³, C. Såthe¹, D. Ding⁴, J.-H. Guo¹, H. Högberg³, T. Kämbre¹, U. Jansson³, and J. Nordgren¹

¹Department of Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden
²Department of Physics, Stockholm University, P.O. Box 6730, S-113 85 Stockholm, Sweden
³Department of Inorganic Chemistry, Uppsala University, Box 538, S-751 21 Uppsala, Sweden
⁴Institute of Atomic and Molecular Physics, State Key Lab for Superhard Materials, Jilin University, Changchun 130023, People’s Republic of China

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Vol. 63, Iss. 8 — 15 February 2001

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