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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Emission switching of 4,6-diphenylpyrimidones: Solvent and solid state effects
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Emission switching of 4,6-diphenylpyrimidones: Solvent and solid state effects

机译：4,6-二苯基嘧啶的排放切换：溶剂和固态效应

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摘要

The photophysics of 1-ethyl-4,6-bis(4-methoxyphenyl)-2(1H)-pyrimidone (1) and 1-ethyl-4,6-bis(4-(dimethylamino)phenyl)-2(1H)-pyrimidone (2) were investigated to determine the mechanisms of emission switching in response to protonation. UV-vis and steady state emission spectroscopy of the protonated and unprotonated forms across a range of solvents reveal the polarity dependence of the vertical excitation energies. Emission lifetimes and quantum yields show the solvent dependency of the excited states. Emission enhancements were observed in polyethylene glycol solutions and in the solid state (both thin film and single crystal), demonstrating the role of intramolecular rotation in thermal relaxation of the excited states. TD-DFT calculations provide insights into the excited state geometries and the role of intramolecular charge transfer. The collected data show that emission of diphenylpyrimidones can be modulated by four factors, including the identity of the electron-donating auxochrome, protonation state, solvent polarity, and viscosity.
机译：1-乙基-4,6-双（4-甲氧基苯基）-2（1H）-嘧啶酮（1）和1-乙基-4,6-双（4-（二甲基氨基）苯基）-2（1H）的光物理-嘧啶酮（2）进行了研究，以确定响应质子发射切换的机制。各种溶剂中质子化和非质子化形式的紫外可见光谱和稳态发射光谱显示了垂直激发能的极性依赖性。发射寿命和量子产率表明激发态对溶剂的依赖性。在聚乙二醇溶液和固态（薄膜和单晶）中都观察到了发射增强，这证明了分子内旋转在激发态热弛豫中的作用。 TD-DFT计算可提供有关激发态几何结构以及分子内电荷转移作用的见解。收集的数据表明，可以通过四个因素调节二苯基嘧啶酮的发射，这些因素包括给电子性辅助色素的身份，质子化状态，溶剂极性和粘度。

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