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

Prabhat K.K. Pandey*, George C. Schatz

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

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 (US)
Pages (from-to)351-355
Number of pages5
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume29
Issue number1
DOIs
StatePublished - 1983

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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