Investigate the Relationship between Structure and Triplet Potential Energy Surface to Control the Phosphorescence Quantum Yield of Platinum(II) Complex: A Theoretical Investigation.

Triplet potential energy surfaces are extremely important for phosphors because they are closely related to radiative and nonradiative decay processes. In this article, the correlations between the strctures and the triplet potential energy surfaces for Pt(II) complexes are investigated in detail with the help of density functional theory (DFT). The calculated results indicate that triplet hypersurface minima with different configurations, i.