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二甲基亚砜溶剂中All-trans-astaxanthin的拉曼和红外光谱
引用本文:蒋礼林,刘伟龙,杨延强.二甲基亚砜溶剂中All-trans-astaxanthin的拉曼和红外光谱[J].化学物理学报,2017,30(5):506-512.
作者姓名:蒋礼林  刘伟龙  杨延强
作者单位:贺州学院教务处, 贺州 542899,哈尔滨工业大学物理系, 哈尔滨 150001,中国工程物理研究院, 流体物理研究所冲击波和爆轰物理国家重点实验室, 绵阳 621900
基金项目:This work was supported by the Guangxi Natural Sci-ence Foundation (No.2014GXNSFAA118019), the Re-search Foundation of Education Bureau of Guangxi (No.ZD2014127), and the Doctoral Foundation of Hezhou University (No.HZUBS201401).
摘    要:The Raman and infrared spectra of all-trans-astaxanthin (AXT) in dimethyl sulfoxide (DMSO) solvent were investigated experimentally and theoretically. Density functional cal-culations of the Raman spectra predict the splitting of the υ1 band into υ1-1 and υ1-2 compo-nents. The absence of splitting in Raman experimental spectra is ascribed to the competition between the two symmetric C=C stretching vibrations of the backbone chain. The υ1 band is very sensitive to the excitation wavelength: resonance excitation stimulates the higher-frequency υ1-2 mode, and off-resonance excitation corresponds to the lower-frequency υ1-1 mode. Analyses of the intramolecular hydrogen bonding between C=O and O-H in the AXT/DMSO system reveal that the C4=O1...H1-O3 and C4''=O2...H2-O4 bonds are strengthened and weakened, respectively, in the electronically excited state compared with those in the ground state. This result reveals significant variations of the AXT molecular structure in different electronic states.

收稿时间:2017/3/27 0:00:00

Raman and Infrared Spectra for All-trans-astaxanthin in Dimethyl Sulfoxide Solvent
Li-lin Jiang,Wei-long Liu and Yan-qiang Yang.Raman and Infrared Spectra for All-trans-astaxanthin in Dimethyl Sulfoxide Solvent[J].Chinese Journal of Chemical Physics,2017,30(5):506-512.
Authors:Li-lin Jiang  Wei-long Liu and Yan-qiang Yang
Institution:Teaching A airs O ce, Hezhou Ulniversity, Hezhou 542899, China,Department of Physics, Harbin Institute of Technology, Harbin 150001, China and National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China
Abstract:
Keywords:C=C stretching vibration  Resonance excitation  Intramolecular hydrogen bonding  Molecular structure
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