Fig. 4: Theoretical calculations of guests at various temperatures.
From: Twofold rigidity activates ultralong organic high-temperature phosphorescence
a Torsion angles of guest BCZ. b Distribution of the torsion angle at position 1 of BCZ at various temperatures. c Distribution of the torsion angle at position 2 of BCZ at various temperatures. d Thermodynamic parameters of guest BCZ at various temperatures. e Torsion angles of guest BCZ–TPA. f Distribution of the torsion angle at position 1 of BCZ–TPA at various temperatures. g Distribution of the torsion angle at position 3 of BCZ–TPA at various temperatures. h Thermodynamic parameters of guest BCZ–TPA at various temperatures (U: internal energy, H: enthalpy, G: Gibbs free energy).
