Theoretical study on photophysical properties of Pt(II) triarylborons with a 2,2-bpy core derivatives

The first hyperpolarizability values of the v shaped complexes are larger than that of the linear shape complex, which indicates that larger intramolecular charge transfer for the v shaped complexes might occur under the external electric field. And the changes in first hyperpolarizability values can be explained by the combined effect of the difference between the ground state and excited state dipole moment, the oscillator strength, and the cube of the transition energy.