Geometry optimizations for the ground state (S0) was conducted using density functional theory (DFT) and the optimizations of excited singlet (S1) and lowest triplet (T) states were conducted using time-dependent density functional theory (TD-DFT) within the Tamm-Dancoff approximation (TDA). All calculations were performed using the ORCA 5.0.4 program. Geometry optimizations and frequency calculations were computed using CAM-B3LYP 30 long-range exchange-correlation corrected functional in combination with the Ahlrichs fullelectron Def2-TZVP basis set. Dispersion corrections were considered, including the D3 correction proposed by Grimme et al. with the Becke-Johnson (BJ) damping D3BJ. The chain-of-spheres approximation (COSX) was employed for the exchange term of the Fock matrix, using the auxiliary Def2/J basis set alongside the resolution-of-identity (RI) method for the Coulomb term. The solvent effects were accounted for using the CPCM implicit solvation model and with an explicit microsolvation (3 water molecules) in addition to CPCM. The latter will be referred to throughout the text as the explicit solvent. Fluorescence and ISC rates were determined using TDA and the path integral approach proposed by de Souza et al. and implemented in ORCA. This approach provided reliable fluorescence, phosphorescence, and ISC rate constants predictions, as evidenced by several works. For fluorescence rates, the path integral approach starts from Fermi's Golden