吡咯并[3,4 - b]吡咯 - 567染料的同系物：合成、光物理、光稳定性、激光及TD - DFT理论视角
Congeners of Pyrromethene-567 Dye: Perspectives from Synthesis, Photophysics, Photostability, Laser, and TD-DFT Theory.
作者信息
Thorat Kishor G, Kamble Priyadarshani, Mallah Ramnath, Ray Alok K, Sekar Nagaiyan
机构信息
†Dyestuff Technology Department, Institute of Chemical Technology, Matunga, Mumbai, 400 019, India.
出版信息
J Org Chem. 2015 Jun 19;80(12):6152-64. doi: 10.1021/acs.joc.5b00654. Epub 2015 Jun 4.
In an attempt to develop photostable and efficient BODIPY (PM) dyes for use in liquid dye lasers, three new congeners of widely used laser dye, PM567, were synthesized and their photophysical properties in various organic solvents, laser performances, and photostabilities in a selected solvent, 1,4-dioxane, have been investigated using a frequency doubled Q-switched (10 Hz) Nd:YAG laser at 532 nm. The results of photostability study in nonpolar 1,4-dioxane revealed the remarkable enhancement in stability of the novel dyes compared to that of PM567 as well as improved laser performances. Cyclic voltammetry study strongly supports the observed enhancement in photostability of the novel dyes compared to that of PM567. The observed properties of the novel dyes in relation to those of PM567 have been rationalized by extensive use of DFT and TD-DFT using the B3LYP/6-31G(d) method of theory.
为了开发用于液体染料激光器的光稳定且高效的BODIPY（PM）染料，合成了广泛使用的激光染料PM567的三种新同系物，并使用532 nm的倍频调Q（10 Hz）Nd:YAG激光器研究了它们在各种有机溶剂中的光物理性质、激光性能以及在选定溶剂1,4-二氧六环中的光稳定性。在非极性1,4-二氧六环中的光稳定性研究结果表明，与PM567相比，新型染料的稳定性显著提高，激光性能也有所改善。循环伏安法研究有力地支持了新型染料与PM567相比光稳定性增强的观察结果。通过广泛使用密度泛函理论（DFT）和含时密度泛函理论（TD-DFT），采用B3LYP/6-31G(d)理论方法，对新型染料与PM567相关的观察性质进行了合理解释。
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