seems to reduce RISC processes involving these states greatly, with the DEST also too large, this compound is predicted to be fluorescent. the reported value of -5.59 eV in DCM. The LUMO level of 4CzPyz is -2.58 eV, which is moderately destabilized compared to the reported value of -2.83 eV in DCM, while the LUMO levels for 3CzBPz and 2CzBPz are calculated to be -2.47 eV and -2.45 eV, respectively, where these are inferred from the HOMO energies and the optical gaps (Eg), which themselves were determined from the intersection of the normalized absorption and fluorescence spectra in toluene (2.94 eV and 2.97 eV, Figure ). The LUMOs values of 4CzPyz, 3CzBPz and 2CzBPz are moderately more stabilized than the values obtained from DFT calculations, yet follow the calculated trend.