Abstract
A series of Cu(I) pyridyl-imidazole (PyIm) complexes with different aryl groups (Ar = naphthalene (P2), phenanthrene (P3), and anthracene (P4)) attached on the pyridyl ring are synthesized and characterized. The influence of these organic chromophore groups on the photophysical properties of the resulting complexes is investigated. Complexes P2–P4 show stronger light harvesting efficiencies in the visible region compared with the parent complex P1. The emitting state of complex P1 originates from the 3MLCT state with some 3LLCT character, while complexes P2 and P3 predominantly exhibit the 3LLCT character. For complex P4, the triplet emitting state is dominated by the 3(π → π) state localized on the anthryl moiety, together with a lesser contribution form the 3LLCT state. These changes in the photophysical properties were rationalized by DFT and TDDFT methods.
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