TY - JOUR
T1 - Quadrupole Contribution of CνO Vibrational Band in Sum Frequency Generation Spectra of Organic Carbonates
AU - Wang, Lin
AU - Mori, Wataru
AU - Morita, Akihiro
AU - Kondoh, Masato
AU - Okuno, Masanari
AU - Ishibashi, Taka Aki
N1 - Funding Information:
We thank Dr. Tahei Tahara for useful discussion. The computation was performed with the supercomputers at Research Center for Computational Science, Okazaki, Japan. This work was supported by the Grants-in-Aid for Scientific Research (Nos. 18H05265, 20H00368) by Japan Society for the Promotion of Science.
Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/10/15
Y1 - 2020/10/15
N2 - Sum Frequency Generation (SFG) is usually governed by surface-selective signals of dipole origin, but it can also contain some bulk signals of quadrupole origin. In this work, we examined the dipole and quadrupole contributions in the CνO stretching band of organic carbonate liquids with collaboration of heterodyne SFG measurement and theoretical analysis. As a result, we found that these spectra are substantially affected by the quadrupole contribution of the bulk, which resolved the discrepancy between the experimental and computational SFG spectra.
AB - Sum Frequency Generation (SFG) is usually governed by surface-selective signals of dipole origin, but it can also contain some bulk signals of quadrupole origin. In this work, we examined the dipole and quadrupole contributions in the CνO stretching band of organic carbonate liquids with collaboration of heterodyne SFG measurement and theoretical analysis. As a result, we found that these spectra are substantially affected by the quadrupole contribution of the bulk, which resolved the discrepancy between the experimental and computational SFG spectra.
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U2 - 10.1021/acs.jpclett.0c02453
DO - 10.1021/acs.jpclett.0c02453
M3 - Article
C2 - 32926624
AN - SCOPUS:85093538592
SN - 1948-7185
VL - 11
SP - 8527
EP - 8531
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 20
ER -