Sustainable Defluorination Pathway: From Perfluoro Gem-diol Hydration to Electrocatalytic Removal of CF3 at Room Temperature
DOI:
文献链接: https://pubs.rsc.org/en/content/articlelanding/2025/cp/d5cp02881g
其他信息:
X Shi, L Cheng, W Wu, L Wang, Y Zou…
Physical Chemistry …, 2025
pubs.rsc.org
At room temperature, the carbonyl functional group of some short-chain fluoroketones (SFKs) undergoes nucleophilic addition with water to form a perfluoro gem diol without protonation. This is due to the electron-withdrawing effect of their perfluoro functional group. By combining density functional theory (DFT) calculations with hydration experiments, the conditions for geminal diol formation at room temperature were determined: the Gibbs energy barrier of the transition state must not exceed 46.90 kcal mol− 1, and the …
