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Photophysical/Chemistry Properties of Distyryl-BODIPY Derivatives: An Experimental and Density Functional Theoretical
Hongwei Kang1, Yubing Si1, Yuxiu Liu2
1Henan Provincial Key Laboratory of Nanocomposites and Applications, Institute of Nanostructured Functional Materials , Huanghe Science and Technology College , Zhengzhou 450006 , People's Republic of China.
Abstract:
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 (1O2) quantum yield of compounds 2 and 4 each bearing two bromine atoms in their skeleton revealed the position effect of heavy atom for 1O2 production. The 1O2 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.
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