Fig. 2: Potential energy surface (PES) scanning of the investigated molecules. | Nature Communications

Fig. 2: Potential energy surface (PES) scanning of the investigated molecules.

From: Confining donor conformation distributions for efficient thermally activated delayed fluorescence with fast spin-flipping

Fig. 2: Potential energy surface (PES) scanning of the investigated molecules.The alternative text for this image may have been generated using AI.

a Illustration of the molecular structures and dihedral angles for PES scanning. b–d Flexible PES scanning of the D-A dihedral angles (with single donor) at ground state (light blue symbol) and the correspondence energies in an excited state (red symbol for triplet and blue symbol for singlet state), and the bar charts denote the Boltzmann distributions of the geometries with different dihedral angles in the singlet (blue) and triplet (red) states. Source data are provided as a Source Data file.

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