Recent progress in theoretical analysis of vibrational sum frequency generation spectroscopy

Akihiro Morita, Tatsuya Ishiyama

研究成果: Review article査読

102 被引用数 (Scopus)

抄録

This article summarizes the computational analysis of the vibrational sum frequency generation (SFG) spectroscopy with molecular dynamics simulation. The analysis allows direct comparison of experimental SFG spectra and microscopic interface structure obtained by molecular simulation, and thereby obviates empirical fitting procedures of the observed spectra. In the theoretical formulation, the frequency-dependent nonlinear susceptibility of an interface is calculated in two ways, based on the energy representation and time-dependent representation. The application to aqueous interfaces revealed a number of new insights into the local structure of electrolyte interfaces and the interpretation of SFG spectroscopy.

本文言語English
ページ(範囲)5801-5816
ページ数16
ジャーナルPhysical Chemistry Chemical Physics
10
38
DOI
出版ステータスPublished - 2008 10 6

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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