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. 2022 Nov 28;29(6):e202202264. doi: 10.1002/chem.202202264

Figure 10.

Figure 10

Delocalization indices (Dis) for 26R2− , 28R2+ , and 26F2− macrocycles computed at the CAM‐B3LYP/6‐311+G(d,p) level of theory. The conjugation pathway with the largest DIs is depicted with bold bonds. The main circuit corresponds to the inner pathway in 26R2− and 26F2− , and the outer one in 28R2+ .