Fig. 7: Mechanistic studies for IQO-COF-1-catalyzed decarboxylative Minisci reaction. | Nature Communications

Fig. 7: Mechanistic studies for IQO-COF-1-catalyzed decarboxylative Minisci reaction.

From: Ultrastable amide-like isoquinolone-linked covalent organic frameworks for accelerated photocatalytic single-electron transfer transformation

Fig. 7

a Control experiments. b In situ DRIFTS of IQO-COF-1 in photocatalytic SET reduction of (NH4)2S2O8. c Plausible mechanism. d DFT calculations (The suffix p implies that the simplified monomer alternative to COF was used for modeling, with calculated levels wB97XD/def2-TZVP/SMD// wB97XD/ def2-SVP/SMD). TEMPO, 2,2,6,6-tetramethylpiperidin-1-yl)oxyl; SET, single-electron transfer; LUMO, lowest unoccupied molecular orbital; HOMO, highest occupied molecular orbital.

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