Accession Number:

ADA629505

Title:

Chemical Raman Enhancement of Organic Adsorbates on Metal Surfaces

Descriptive Note:

Journal article

Corporate Author:

CALIFORNIA UNIV BERKELEY DEPT OF ELECTRICAL ENGINEERING

Report Date:

2011-02-25

Pagination or Media Count:

5.0

Abstract:

Using first-principles theory and experiments, chemical contributions to surface-enhanced Raman spectroscopy for a well-studied organic molecule, benzene thiol, chemisorbed on planar Au111 surfaces are explained and quantified. Density functional theory calculations of the static Raman tensor demonstrate a strong mode-dependent modification of benzene thiol Raman spectra by Au substrates. Raman active modes with the largest enhancements result from stronger contributions from Au to their electronvibron coupling, as quantified through a deformation potential. A straightforward and general analysis is introduced to extract chemical enhancement from experiments for specific vibrational modes measured values are in excellent agreement with our calculations.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE