Figure 3

The influence of the frontier orbital overlap on ΔE_ST.

(a) The relations between the calculated ΔE_ST, I_H/L, I_S and I_T of triazines. Insets: HONTO and LUNTO for S₁ and T₁ of A1, A6 and S10 from left to right, respectively; (b) The types of triazines with different HONTO-LUNTO overlap patterns at S₁ and T₁ states.