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Issue 10, 2018
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Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect

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Abstract

Using quantum computations we study sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect in the non-resonant case for the first time. The nonadiabatic effect has an important impact on non-resonant antisymmetric polarizability and chiral sum-frequency vibrational spectroscopy. The theoretical spectroscopy agrees with the experimental spectroscopy. However, the nonadiabatic effect only has a small influence on non-resonant Raman. Bulk sum-frequency vibrational spectroscopy may become a powerful method of investigating the nonadiabatic effect and the nonradiative transition between excited electronic states for chiral molecules.

Graphical abstract: Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect

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Publication details

The article was received on 19 Dec 2017, accepted on 01 Feb 2018 and first published on 01 Feb 2018


Article type: Paper
DOI: 10.1039/C7CP08473K
Citation: Phys. Chem. Chem. Phys., 2018,20, 7053-7058
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    Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect

    R. Zheng, W. Wei, M. Xu and Q. Shi, Phys. Chem. Chem. Phys., 2018, 20, 7053
    DOI: 10.1039/C7CP08473K

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