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Lighting the Flavin Decorated Ruthenium(II) Polyimine Complexes: A Theoretical Investigation

Guo, Huimin ; Dang, Can ; Zhao, Jianzhang ; Dick, Bernhard


The emission properties of a series of flavin (FL) decorated Ru (II) polyimine complexes were investigated by extensive time-dependent (TD) density functional theory (DFT) and DFT based calculations. We attributed the moderate emission properties of FL decorated Ru(II) polyimine complex (Ru-1), such as triplet lifetime and luminescence quantum yield, to the dominant fast nonradiative decay due to ...


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