Skip to main content
. 2023 Jun 20;145(26):14417–14426. doi: 10.1021/jacs.3c03614

Figure 2.

Figure 2

(a) Chemical structures of the TFB-CHDA COF and TFPB-CHDA COF. (b, e) Experimental PXRD (green line) and corresponding Pawley-refined patterns (purple line), simulated pattern from the AA-stacking mode (red line), and their difference (gray line) of (b) TFB-CHDA COF (Rp = 0.75%, Rwp = 1.56%) and (e) TFPB-CHDA COF (Rp = 1.94%, Rwp = 3.72%). (c, f) DFTB-optimized crystal structure viewed along the pseudoquadratic pore of (c) TFB-CHDA COF and (f) TFPB-CHDA COF. (d, g) DFTB-optimized crystal structure in the side view of (d) TFB-CHDA COF and (g) TFPB-CHDA COF.