Orientation dependence of surface enhanced raman intensities: results from ab initio calculations

Prabhat K K Pandey, George C Schatz

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Time dependent Hartree-Fock methods have been used to calculate Raman intensifies 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 languageEnglish
Pages (from-to)351-355
Number of pages5
JournalJournal of Electron Spectroscopy and Related Phenomena
Issue number1
Publication statusPublished - 1983


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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