TY - JOUR
T1 - Intermolecular correlation effect in sum frequency generation spectroscopy of electrolyte aqueous solution
AU - Ishiyama, Tatsuya
AU - Morita, Akihiro
N1 - Funding Information:
This work was supported by the Next Generation Super Computing Project, Nanoscience Program, MEXT, Japan. The computations were carried out at Research Center of Computational Science, Okazaki, Japan. We also thank Prof. Ron Shen for valuable comments.
PY - 2006/11/11
Y1 - 2006/11/11
N2 - Molecular dynamics analysis of the sum frequency generation (SFG) spectroscopy was performed to solve the recent controversial problem about liquid-vapor interface of electrolyte aqueous solution [B.C. Garrett, Science 303 (2004) 1146]. The present molecular dynamics analysis revealed a crucial role of ion-water dipolar correlation in the vibrational SFG spectroscopy, which significantly distorts the general relationship between SFG intensity and surface orientational order. The experimental SFG spectra were thereby elucidated from the local structure of interface.
AB - Molecular dynamics analysis of the sum frequency generation (SFG) spectroscopy was performed to solve the recent controversial problem about liquid-vapor interface of electrolyte aqueous solution [B.C. Garrett, Science 303 (2004) 1146]. The present molecular dynamics analysis revealed a crucial role of ion-water dipolar correlation in the vibrational SFG spectroscopy, which significantly distorts the general relationship between SFG intensity and surface orientational order. The experimental SFG spectra were thereby elucidated from the local structure of interface.
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U2 - 10.1016/j.cplett.2006.09.024
DO - 10.1016/j.cplett.2006.09.024
M3 - Article
AN - SCOPUS:33750310514
SN - 0009-2614
VL - 431
SP - 78
EP - 82
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -