二苯乙烯-BODIPY 衍生物的光物理/化学性质：实验和密度泛函理论研究。
Photophysical/Chemistry Properties of Distyryl-BODIPY Derivatives: An Experimental and Density Functional Theoretical Study.
机构信息
Henan Provincial Key Laboratory of Nanocomposites and Applications, Institute of Nanostructured Functional Materials , Huanghe Science and Technology College , Zhengzhou 450006 , People's Republic of China.
State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, and College of Chemistry and Chemical Engineering , Xiamen University , Xiamen 361005 , People's Republic of China.
出版信息
J Phys Chem A. 2018 Jun 28;122(25):5574-5579. doi: 10.1021/acs.jpca.8b02656. Epub 2018 Jun 13.
Singlet oxygen is the key element for photodynamic therapy. In this paper, six novel distyryl-BODIPY compounds were synthesized and investigated in detail to fully evaluate their photophysical/chemistry characteristics. Specially, the singlet oxygen (O) quantum yield of compounds 2 and 4 each bearing two bromine atoms in their skeleton revealed the position effect of heavy atom for O production. The O quantum yield of 4, which was brominated at 2/6 position of BODIPY skeleton, was much higher than that of compound 2, brominated at styryl group with a long distance toward BODIPY core. Importantly, theoretical calculations were carried out to elaborate the essential reason for the difference of 2 and 4 by investigating intersystem crossing rate.
单线态氧是光动力疗法的关键因素。在本文中，合成了六个新型二苯乙烯-BODIPY 化合物，并对其进行了详细研究，以充分评估它们的光物理/化学特性。特别是，在骨架中带有两个溴原子的化合物 2 和 4 的单线态氧（O）量子产率揭示了重原子对 O 生成的位置效应。在 BODIPY 骨架的 2/6 位溴化的化合物 4 的 O 量子产率远高于在与 BODIPY 核心有长距离的苯乙烯基上溴化的化合物 2。重要的是，通过研究系间穿越速率，进行了理论计算，详细阐述了化合物 2 和 4 之间差异的根本原因。
Zotero 插件