Electronic nature of new styryl dye bases: Linear photophysical, photochemical, and transient absorption spectroscopy studies
Electronic nature of new styryl dye bases: Linear photophysical, photochemical, and transient absorption spectroscopy studies
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新型苯乙烯基染料基的电子性质：线性光物理、光化学和瞬态吸收光谱研究
DOI：
10.1016/j.dyepig.2019.107582
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发表时间：
2019
影响因子：
4.5
通讯作者：
Bondar, M.V.
中科院分区：
文献类型：
--
作者：
Shaydyuk, Ye.O.;Boyko, O.P.;Kachkovsky, O.D.;Slominsky, Yu.L.;Bricks, J.L.;Belfield, K.D.;Bondar, M.V.
研究了一系列新型苯乙烯基染料碱的电子结构特征，并用飞秒瞬时吸收光谱和密度泛函量子化学计算等方法对它们的稳态光谱和时间分辨光谱进行了表征。室温下在不同极性的溶剂中的稳态吸收光谱、荧光光谱、荧光量子产率和寿命表明，二甲氨基末端取代基对电子激发后分子几何构型的重排和电子密度有特殊的影响。用飞秒时间分辨方法研究了新型苯乙烯基染料碱电子结构的快弛豫过程及其时间分辨激发态吸收光谱的性质，揭示了分子内扭曲电荷转移(TICT)效应的作用.采用非经验含时密度泛函理论方法对新型苯乙烯基染料碱的电子结构进行了量子化学计算，计算结果与实验数据吻合较好。
The features of the electronic structures of a series of new styryl dye bases were investigated and characterized by their steady-state and time-resolved spectral properties, including femtosecond transient absorption spepctroscopy and DFT quantum chemical calculations. The steady-state absorption and fluorescence spectra, fluorescence quantum yield, and lifetimes in solvents of different polarity at room temperature revealed specific redistribution of the electronic density and rearrangements in molecular geometry after electronic excitation influenced by the dimethylamino end substituents. Fast relaxation processes in the electronic structures of new styryl dye bases and the nature of their time-resolved excited state absorption spectra were investigated with femtosecond temporal resolution, and the role of twisted intramolecular charge transfer (TICT) effects was shown. Quantum chemical calculations of the electronic structure of the new styryl dye bases were performed using non-empirical Time Dependent Density Functional Theory level, and were in good agreement with experimental data.
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