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Raman and Infrared Spectra for All-trans-astaxanthin in Dimethyl Sulfoxide Solvent
Li-lin Jiang*,Wei-long Liu,Yan-qiang Yang
Author NameAffiliationE-mail
Li-lin Jiang* Teaching A airs O ce, Hezhou Ulniversity, Hezhou 542899, China jianglilin2009@gmail.com 
Wei-long Liu Department of Physics, Harbin Institute of Technology, Harbin 150001, China  
Yan-qiang Yang National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China  
Abstract:
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.
Key words:  C=C stretching vibration  Resonance excitation  Intramolecular hydrogen bonding  Molecular structure
FundProject: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).
二甲基亚砜溶剂中All-trans-astaxanthin的拉曼和红外光谱
蒋礼林*,刘伟龙,杨延强
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DOI:10.1063/1674-0068/30/cjcp1703054
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