Quantum chemical calculations were performed using Gaussian 16 package . The geometries of the ground state (S0) were optimized based on density functional theory (DFT), and the properties of S1 and T1 were calculated using the optimized geometries of the ground state (S0) based on time-dependent (TD)-DFT. We employed the 6-31G(d,p) basis set and B3LYP functional.