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叶黄素的激发态几何形状和电子-声子耦合的调制:温度和溶剂极化率的影响。

Modulated excited state geometry and Electron-Phonon coupling of lutein by temperature and solvent polarizability.

机构信息

Key Laboratory of Physics and Technology for Advanced Batteries, College of Physics, Jilin University, Changchun 130012, China.

College of Physics, Jilin University, Changchun 130012, China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2022 Nov 5;280:121520. doi: 10.1016/j.saa.2022.121520. Epub 2022 Jun 17.

Abstract

Resonance Raman spectroscopy is one of the spectroscopic methods often chosen for studying linear polyene molecules because the Raman intensities of their υ (C = C) and υ (C-C) stretching vibrations are sensitive to electron-phonon coupling and the π-electron energy gap. Here, the resonance Raman and absorption spectra of lutein were studied as a function of solvent polarizabilities and of temperature in the CS solvent. For lutein in CS, as the temperature decreased and CS solidified, the Raman scattering cross-section (RSCS) and the electron-phonon coupling constant had opposite dependence trends on temperature. The wavenumber of the lutein 0-0 electronic transition showed a marked shift to lower wavenumbers when the polarizability of the solvents decreased, and the Huang-Rhys (HR) factors and electron-phonon coupling also decreased. This work helps explore the influence of the external environment (e.g., temperature and solvent) on the excited state geometry of linear polyene molecules.

摘要

共振拉曼光谱是研究线性聚烯分子的常用光谱方法之一,因为它们的 υ(C=C)和 υ(C-C)伸缩振动的拉曼强度对电子-声子耦合和π电子能隙敏感。在这里,我们研究了叶黄素在 CS 溶剂中溶剂极化率和温度的函数的共振拉曼和吸收光谱。对于 CS 中的叶黄素,随着温度降低和 CS 凝固,拉曼散射截面(RSCS)和电子-声子耦合常数对温度的依赖性呈相反趋势。当溶剂的极化率降低时,叶黄素 0-0 电子跃迁的波数明显向低波数移动,而黄-瑞什(HR)因子和电子-声子耦合也降低。这项工作有助于探索外部环境(例如温度和溶剂)对线性聚烯分子激发态几何形状的影响。

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