A polyene chain of canthaxanthin investigated by temperature-dependent resonance Raman spectra and density functional theory (DFT) calculations

doi:10.1088/1674-1056/22/8/083301

Abstract We report on a temperature-dependent resonance Raman spectral characterization of the polyene chain of canthaxanthin. It is observed that all vibrational intensities of the polyene chain are inversely proportional to temperature, which is analyzed by the resonance Raman effect and the coherent weakly damped electron/lattice vibrations. The increase in intensity of the CC overtone/combination relative to the fundamental with temperature decreasing is detected and discussed in terms of electron/phonon coupling and the activation energy U_op. Moreover, the polyene chain studies using the density functional theory B3LYP/6-31G^* level reveal a prominent peak at 1525 cm^-1 consisting of two closely spaced modes that are both dominated by C=C stretching coordinates of the polyene chain.

Keywords: canthaxanthin density functional theory polyene chain Raman spectra

Received: 13 November 2012
Revised: 04 January 2013
Accepted manuscript online:

PACS:

33.20.Fb

(Raman and Rayleigh spectra (including optical scattering) ?)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 10974067 and 11104107), the Program of Jilin Province Science and Technology Department, China (Grant Nos. 20090534 and 20101508), and the China Postdoctoral Science Foundation, China (Grant No. 20110491320).

Corresponding Authors: Sun Cheng-Lin
E-mail: chenglin@mail.jlu.edu.cn

Cite this article:

Chen Yuan-Zheng (陈元正), Li Shuo (李硕), Zhou Mi (周密), Li Zuo-Wei (里佐威), Sun Cheng-Lin (孙成林) A polyene chain of canthaxanthin investigated by temperature-dependent resonance Raman spectra and density functional theory (DFT) calculations 2013 Chin. Phys. B 22 083301

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A polyene chain of canthaxanthin investigated by temperature-dependent resonance Raman spectra and density functional theory (DFT) calculations

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