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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Design and Electronic Structure of New Styryl Dye Bases: Steady- State and Time-Resolved Spectroscopic Studies
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Design and Electronic Structure of New Styryl Dye Bases: Steady- State and Time-Resolved Spectroscopic Studies

机译：新苯乙烯基染料基料的设计和电子结构：稳态和时间分辨光谱研究

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摘要

A comprehensive investigation of the electronic structure and fast relaxation processes in the excited states of new styryl base-type derivatives was performed using steady-state, pico-, and femtosecond time-resolved spectroscopic techniques. Linear photophysical parameters of new compounds, including steadystate absorption, fluorescence, and excitation anisotropy spectra, were obtained in a number of organic solvents at room temperature. A detailed analysis of the fluorescence lifetimes and ultrafast relaxation processes in the electronically excited state of the styryl bases revealed an important role of solvate dynamics and donor? acceptor strength of the molecular structures in the formation of their excited state absorption spectra. Experimental data were in good agreement with quantum chemical calculations at the time dependent density functional theory level, combined with a polarizable continuum model.
机译：使用稳态，皮秒和飞秒时间分辨光谱技术对新的苯乙烯基碱型衍生物的激发态的电子结构和快速弛豫过程进行了全面研究。在室温下，在许多有机溶剂中获得了新化合物的线性光物理参数，包括稳态吸收，荧光和激发各向异性光谱。在苯乙烯基电子激发态下的荧光寿命和超快弛豫过程的详细分析揭示了溶剂合物动力学和供体的重要作用。分子结构中受主强度形成其激发态的吸收光谱。实验数据与基于时间的密度泛函理论水平的量子化学计算，以及可极化的连续谱模型相吻合。

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