Fig. 7: Thermodynamics of heterodimer formation explored using density functional theory.
From: Synthesis of a donor–acceptor heterodimer via trifunctional completive self-sorting
(SMD(toluene)/GD3BJ-B3LYP/6–31 G(d,p)). ΔG298 (in kcal/mol) are given relative to 1 (black) and the preceding intermediate (red). Vertical positions of energy bars are not to scale.
