The distribution pattern for the S2/T2 is similar to that of the S1/T1 states but does not involve as significantly the bridging aniline. The S1 energy level is 3.08 eV, which is stabilized compared to that of DDiKTa of 3.39 eV and DiKTa of 3.46 eV, indicating that the emission should be lower in energy. The calculated DEST of 0.22 eV is smaller than the predicted value of 0.27 eV for both DiKTa and DDiKTa. The SOC matrix element (SOCME) between S1 and T1 at the T1-optimized geometry (Figure ) was calculated to be 0.49 cm -1 while that from T2 to S1 was 0.44 cm -1 (Figure ). The electrochemical properties were investigated using cyclic voltammetry (CV) and differential pulse voltammetry (DPV) in dichloromethane (Figure ). The CV of DDiKTa-A shows reversible oxidation and reduction waves. The oxidation (Eox) and reduction potentials (Ered), determined from the respective peaks in the DPV, are 0.98 and -1.32 eV versus a saturated calomel electrode (SCE). The corresponding HOMO and LUMO levels are calculated to be -5.32 and -3.02