DFT and TDDFT simulation DFT calculations were performed on the molecules using ORCA 5.0.4 . Optimization of molecules was performed using at P BE0/6 -311G * level of theory . TDDFT calculations were performed at P BE0/T ZV P , . Gas phase, water and Chlorobenzene as solvent using the implicit solvent polarizable continuum model (P CM ) , with Grimme's D3 - dispersion corrections were used in optimization and TDDFT calculations.