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[相态对全反式-β-胡萝卜素特征能量的影响]

[The Effect of the Phase on Characteristic Energy of All-Trans-β-Carotene].

作者信息

Shen Peng-fei, Li Shuo, Xu Sheng-nan, Sun Mei-jiao, Sun Cheng-lin, Li Zuo-wei

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2016 Jan;36(1):6-10.

Abstract

All-trans-β-carotene has important functions of light collection and light protection, and it is also an important electrooptical material. The Raman spectra of polyenes are a result of the modulation effect of the π electron energy gap on the vibration of CC bonds, which associate with the external field. So it has higher theoretical significance and practical value to study the molecular structure and properties change under the external field. Ultraviolet-visible absorption spectra and resonant Raman spectra of all-trans-β-carotene in cyclohexanol were measured from 341 to 275 K. The liquid-solid phase transition of the sample appears at 295 K. The characteristic energy describes the conformational change of all-trans-β-carotene molecule. After the solution phase transition, the characteristic energy ε of all-trans-β-carotene molecule becomes bigger. And when temperature decreasing, the rate of change of the Huang-Rhys, the wavelength of UV absorption peak, electron-phonon Parameter, RSCSs of the CC bond increase. the Huang-Rhys in solid phase is an order of magnitude higher then liquid phase. The characteristic energy of liquid is 0.206 7 eV. The characteristic energy of liquid is 0.559 6 eV. The increasing of the characteristic energy ε makes the rate of increasing of the effectively conjugated length becomes bigger. The decreasing of the π electric energy gap quickens. The function of moderation from electron energy gap to all-trans-β-carotene molecule enhances. Electron-phonon Parameter increases. RSCSs of the CC bond substantially increases.

摘要

全反式β-胡萝卜素具有重要的集光和光保护功能,也是一种重要的电光材料。多烯的拉曼光谱是π电子能隙对与外部场相关的CC键振动的调制作用的结果。因此,研究外部场作用下分子结构和性质的变化具有较高的理论意义和实用价值。测量了全反式β-胡萝卜素在环己醇中341至275K的紫外可见吸收光谱和共振拉曼光谱。样品的液-固相变出现在295K。特征能量描述了全反式β-胡萝卜素分子的构象变化。溶液相变后,全反式β-胡萝卜素分子的特征能量ε变大。并且当温度降低时,黄-里斯因子的变化率、紫外吸收峰的波长、电子-声子参数、CC键的拉曼散射截面增加。固相中的黄-里斯因子比液相高一个数量级。液相的特征能量为0.2067eV。固相的特征能量为0.5596eV。特征能量ε的增加使得有效共轭长度的增加速率变大。π电能隙的减小加快。电子能隙对全反式β-胡萝卜素分子的调制作用增强。电子-声子参数增加。CC键的拉曼散射截面大幅增加。

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