β-胡萝卜素具有光采集、 光防护功能, 又是重要的光电材料, 它在外场下的分子结构和性能变化既有理论意义也有应用价值。 测量了β-胡萝卜素在环己醇中68～26 ℃温度范围内的紫外-可见吸收、 拉曼光谱。 实验结果表明随着温度的降低, 黄琨因子和碳碳键每个振动模的电子-声子耦合常数减小, 紫外-可见吸收光谱红移, 碳碳键拉曼散射截面增加。 用线性链状多烯分子的“相干弱阻尼电子-晶格振动模型”、 “有效共轭长度模型”等理论给予了解释。 随着温度的降低, β-胡萝卜素分子的热无序减小, 分子结构有序性增加, π电子离域扩展, 有效共轭长度增加, 导致紫外-可见吸收光谱红移和强的拉曼活性。 相干弱阻尼电子-晶格振动增强, 使碳碳键拉曼散射截面增加。 引用带有量纲的电子-声子相互作用常数, 既可以与黄昆因子建立关系式, 计算出碳碳键每个振动模的数值, 也可以表征分子的有效共轭长度, π电子离域程度及拉曼散射截面的大小等。

A Visible absorption and Raman spectra of all-trans-β-carotene was measured in cyclohexanol solution in the temperature range from 68 ℃ to 26 ℃. The results indicated that the visible absorption spectra are red-shifted, Raman scattering cross section increases, Huang-Ryes factor and electron-phonon coupling constants of CC bond vibration modes decreases with the temperature decreasing. The changes are interpreted using the theory of “coherent weakly damped electronic-lattice vibration model” and “effective conjugation length model”. The red shift of the absorption spectra and intensity of the Raman active are attributed to the thermal conformational change-induced increase in the effective conjugation length in all-trans-β-carotene chains. All-trans-β-carotene has strong coherent weakly damped CC bonds vibrational properties, which lead to large Raman scattering cross section in the solvent of low temperature. The electron-phonon coupling constants with dimension are used, which can easily establish relation with the Huang-Rhys factor and calculate the electron-phonon coupling constants of CC bond vibration modes. Effective conjugation length, the π-electron delocalization range and the Raman scattering cross section are described by the electron-phonon coupling constants.