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Annual Review of Physical Chemistry

Volume 68, 2017

Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy

Abstract

Vibrational sum frequency generation (VSFG) spectroscopy is a widely used probe of interfaces and, having ideal surface sensitivity and selectivity, is particularly powerful when applied to wet and soft interfaces. Although VSFG spectroscopy can sensitively detect molecular details of interfaces, interpretation of observed spectra has, until recently, been challenging and often ambiguous. The situation has been greatly improved by remarkable advances in computational VSFG analysis on the basis of molecular modeling and molecular dynamics simulation. This article reviews the basic idea of computational VSFG analysis and recent applications to both aqueous and organic interfaces.

Keyword(s): aqueous interfaces, charge response kernel, molecular dynamics simulation, nonlinear susceptibility, organic interfaces
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/content/journals/10.1146/annurev-physchem-052516-044806
2017-05-05
2025-04-18
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/content/journals/10.1146/annurev-physchem-052516-044806
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Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy
Annual Review of Physical Chemistry 68, 355 (2017); https://doi.org/10.1146/annurev-physchem-052516-044806
/content/journals/10.1146/annurev-physchem-052516-044806
/content/journals/10.1146/annurev-physchem-052516-044806
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