Fig. 2. Self-assembly behaviors and mechanism of 1. (A) Concentration-dependent fluorescence spectra of 1 in aqueous solution from 4.0 × 10−6 M to 1.0 × 10−4 M. λex = 320 nm. Inset of (a): the plot of the emission intensity of 1 at 484 nm versus concentration. (B) αagg of 1 (1.2 × 10−4 M, λ = 490 nm) versus temperature in aqueous solution. The red line denotes the isodesmic fitting curve. Inset of (B): temperature-dependent UV-Vis spectra of 1. Arrows indicate the spectral variations upon increasing temperature. Optimized geometries of the dimeric structures of 1 in the front view, on the basis of DFT calculations at the level of B3LYP/6-31G(d).
