Author/Authors :
S. Korica، نويسنده , , S. and Reinkِster، نويسنده , , A. and Braune، نويسنده , , M. and Viefhaus، نويسنده , , J. and Rolles، نويسنده , , D. and Langer، نويسنده , , B. and Fronzoni، نويسنده , , G. and Toffoli، نويسنده , , D. and Stener، نويسنده , , M. and Decleva، نويسنده , , P. and Al-Dossary، نويسنده , , O.M. and Becker، نويسنده , , U.، نويسنده ,
Abstract :
We have performed high resolution measurements of the photoelectrons emitted from the valence shell of C60 and C70, in the gas phase and adsorbed phase on a metal surface, in order to derive branching ratios and the partial photoionization cross sections of the two highest occupied molecular orbitals, HOMO and HOMO-1. The comparison between the gas phase and the adsorbed phase shows an interesting and unexpected difference that can be attributed to a small orbital shift in solid C70. Density Functional Theory calculations within the Local Density Approximation (LDA) show good agreement for both data sets and give a plausible explanation for the observed difference.
Keywords :
Fullerenes , Density functional calculations , Synchrotron radiation excitation , Photoelectron spectroscopy
