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Updated: Jul 17, 2026

Interfacial Molecular-level Structures of Polymers and Biomacromolecules Revealed via Sum Frequency Generation Vibrational Spectroscopy
Published on: August 13, 2019
Theoretical study of sum-frequency vibrational spectroscopy off electronic resonance on limonene chiral liquids
1School of Life Science, University of Science and Technology of China, Hefei, Anhui, 230026, P.R. China. zrh@ustc.edu
Abstract:
The sum-frequency vibrational spectroscopy (SFVS) off electronic resonance on chiral liquids is analyzed using the approach of antisymmetric nonresonant vibrational Raman scattering tensor calculation, which is based on the direct Taylor expansion of electronic transition moments in vibrational normal coordinates. A single-excitation configuration interaction treatment is applied to compute the SFVS off electronic resonance for (R)-limonene molecules, and the model spectra compare favorably with experimental data. This direct evaluation approach may provide a method of computing antisymmetric nonresonant vibrational Raman polarizabilities and predicting and assigning the SFVS off electronic resonance on chiral liquids.
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