Fig. 4: Radiative and non-radiative relaxation process of BT-M calculated at TDA-PBE0/PBE0/6-31G* level. | Nature Communications

Fig. 4: Radiative and non-radiative relaxation process of BT-M calculated at TDA-PBE0/PBE0/6-31G* level.

From: Synthesis and macrocyclization-induced emission enhancement of benzothiadiazole-based macrocycle

Fig. 4

a The non-radiative relaxation process of BT-M via minimum energy crossing point (MECPS1/S0); b the minimum energy structures of BT-M in ground state (S0min), singlet state (S1min), and MECPS1/S0. The selected bond lengths are in Å and the selected torsion angles are in degree.

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