Abstract

As a cyclometalated complex, solvent coligand Pt(II) complex with multiphoton absorption has been designed and synthesized. After the optical properties of the Pt(II) complex were studied carefully, time-dependent density functional theory calculation (TD-DFT) was used to further identify the triplet charge transitions of the complex. The specific energy levels of frontier molecular orbitals and the data related to the energy level transition showed that the Pt(II) complex had photoluminescent properties, and their phosphorescence emission originated from 3LLCT/3MLCT. Because of nonlinear optics (NLO) response, the Pt(II) complex could act as multiphoton absorption materials for bioimaging and anticancer application.

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