Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 108, Issue 41, Pages 16135-16138Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp037661d
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The orientation of thiophenol adsorbed on silver is determined by comparing ab initio calculated and experimental sum-frequency generation (SFG) spectra measured between 9 and 20 mum using a tandem KTP/CdSe optical parametric oscillator. The molecule S-C bond is tilted similar to37degrees from the surface normal with the aromatic ring plane perpendicular to the surface.
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