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. 2016 Jul 18;3(12):1600080. doi: 10.1002/advs.201600080

Figure 1.

Figure 1

a) Simplified energy diagram showing the thermally assisted equilibrium between singlet and triplet excited states; chemical structure and X‐ray molecular structure of DPTZ‐DBTO2,.2CDCl3, CCDC‐1034115. b) HOMO and LUMO of DPTZ‐DBTO2, and S1 and T1 energies obtained from TD‐DFT calculations at B3LYP/6‐31G(d), as a function of the D–A–D relative dihedral angles, assuming that singlet and triplet excited state geometries are the same.