Theoretical investigation on sum-frequency vibrational spectroscopy off electronic resonance for limonene chiral liquids: The second-order Herzberg-Teller effect

被引：0

作者：

Zheng, Ren-hui ^{[2
]}

Wei, Wen-mei ^{[1
]}

Li, Hui-xue ^{[2
]}

Shi, Qiang ^{[2
]}

机构：

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

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

来源：

CHEMICAL PHYSICS LETTERS | 2011年 / 512卷 / 4-6期

关键词：

MOLECULAR CHIRALITY; RAMAN-SPECTRA; GENERATION; POLARIZABILITIES; BINAPHTHOL; SCATTERING; PROBE;

D O I：

10.1016/j.cplett.2011.07.033

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：

We theoretically study the influence of the second-order electric transition dipole moment derivatives on antisymmetric nonresonant vibrational Raman polarizabilities and the sum-frequency vibrational spectroscopy off electronic resonance. Time-dependent density functional theory computation for limonene chiral liquids indicates that the contribution from the second-order derivatives may be detectable in experiments. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：269 / 272

页数：4

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