Research / 2020 / Article / Fig 4

Research Article

Boosting Circularly Polarized Luminescence of Organic Conjugated Systems via Twisted Intramolecular Charge Transfer

Figure 4

Optimized geometries and their frontier orbitals for S1 in o-1 and o-2 using the state-specific polarizable continuum model (PCM) at the TD-DFT CAM-B3LYP/6-31+G(d,p) level in the aggregated states.