Fig. 4 | Nature Communications

Fig. 4

From: White light emission from a single organic molecule with dual phosphorescence at room temperature

Fig. 4

Theoretical calculations for mechanistic investigation. Calculated a adiabatic energy levels, b electronic transition characters, and c involved frontier molecular orbitals, and emission spectra of d T1 and T2 states at 300 K and e T1 state at different temperature from 50 to 300 K of ClBDBT at (TD) B3LYP/6-31(d)/GAFF level. Experimental spectrum (Exp.) is given for comparison

Back to article page