Figure 7
From: Dynamic multistimuli-responsive reversible chiral transformation in supramolecular helices
The initial molecular conformations of positively charged NDI-L-Glu (1) dication (A), negatively charged dianion (B), and neutral conformations (C and D) considered for geometrical optimization. The optimized (E) dication, (F) dianion and (G) neutral NDI-L-glu molecular conformations as calculated using DFT B3LYP/3–21 G level of theory.
