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
Partial photoionization cross sections of C60 and C70: a gas versus adsorbed phase comparison
FRONZONI, GIOVANNA;TOFFOLI, DANIELE;STENER, MAURO;DECLEVA, PIETRO;
2010-01-01
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 differencePubblicazioni consigliate
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