An Empirical Approach to the Bond Additivity Model in Quantitative Interpretation of Sum Frequency Generation Vibrational Spectra

Details An Empirical Approach to the Bond Additivity Model in Quantitative Interpretation of Sum Frequency Generation Vibrational Spectra An Empirical Approach to the Bond Additivity Model in Quantitative Interpretation of Sum Frequency Generation Vibrational Spectra

2006-02-03

arxiv.org/abs/physics/0602019v1

J. Chem. Phys., 125, 133203 (12 pages), 2006.

Physics

Chemical Physics

Scientific paper

10.1063/1.2352746

A complete empirical approach from known Raman and IR spectra is used to make corrections to the bond additivity model for quantitative interpretation of Sum Frequency generation Vibrational Spectra (SFG-VS) from molecular interfaces. This empirical correction successfully addresses the failures of the simple bond additivity model. This empirical approach not only provides new understandings of the effectiveness and limitations of the bond additivity model, but also provides a practical roadmap for its application in SFG-VS studies of molecular interfaces.

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