Fig. 8: Competitive π-stacking: self-association vs. host–guest complexation.
From: Molecular Tetris by sequence-specific stacking of hydrogen bonding molecular clips
Representative changes in the chemical shift of the guest (δGobs, annotated by a yellow circle in the chemical structure; [PHD]0 = 0.45 mM) in CDCl3 during titration with either a C-P2 or b C-NI at T = 298 K. The overlaid gray lines are theoretical fits that take into account both self-association (Kdim) and guest encapsulation (KHG) of the host, as described in c: δGHG = chemical shift of the host–guest complex (either C-P2⊃PHD or C-NI⊃PHD); δG = chemical shift of the unbound guest. For each case, KHG was determined by global fitting (see Supplementary Figs. 30 and 32). PHD 1,10-phenanthroline-5,6-dione.
