Quantum chemical calculations were performed using the Orca 5.0.2 software Geometry optimizations and thermochemical corrections were obtained at the density functional theory (DFT) level with BP86 functional augmented with D3BJ correction and def2-SVP basis set. To account for solvation effects, two explicit water molecules were included in all models along with CPCM solvation model with the dielectric constant of water. All structures were subject to Hessian analysis and minima showed no imaginary modes, while transition states were characterized only by a single imaginary mode. Computations of excited states were carried out in the framework of time-dependent using a range-separated double hybrid density functional B2GP-PLYP with spin-component scaling (SCS) applied to the doubles correction. These calculations were performed with extended def2-TZVPD basis set and accounted for 20 electronic excited states. No shift was applied to the final spectra that were obtained with a broadening parameter of 2000 cm -1 .