Abstract
Time dependent Hartree-Fock methods have been used to calculate Raman intensities for H2 adsorbed onto a model lithium cluster as a function of the orientation of H2 relative to the cluster surface. The intensity is found to be largest for perpendicular adsorption, dropping to a small value at an intermediate angle, and then rising to a second but smaller maximum for parallel adsorption. The results are interpreted using a model which correlates enhancement to lithium cluster orbital energy shifts induced by the static quadrupole field of H2.
Original language | English (US) |
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Pages (from-to) | 351-355 |
Number of pages | 5 |
Journal | Studies in Surface Science and Catalysis |
Volume | 14 |
Issue number | C |
DOIs | |
State | Published - 1983 |
Funding
* Supported by the Office of Naval Resesarch under contract N00014-79-C-0794 1 Alfred P. Sloan Fellow and Camille and Harry Deryfus Teacher - Scholar
ASJC Scopus subject areas
- Catalysis
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry