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

被引：5

作者：

Zheng, Ren-hui ^{[1
]}

Wei, Wen-mei ^{[2
]}

Xu, Meng ^{[1
]}

Shi, Qiang ^{[1
]}

机构：

[1] Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China

[2] Anhui Med Univ, Coll Basic Med, Dept Chem, Hefei 230032, Anhui, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2018年 / 20卷 / 10期

关键词：

GENERATION; INTERFACES; SPECTRA; INTERFERENCE; METHYLENE; STATE; PROBE;

D O I：

10.1039/c7cp08473k

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：7053 / 7058

页数：6

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