Harnessing Radicals for the Selenotrifluoromethylation within a Confined Metal–Organic Framework

Herein, we report a UiO-67-type metal–organic framework as an efficient photocatalyst for the selenyltrifluoromethylation of terminal alkynes. The CF 3 • radical species can be effectively stabilized within the confined space of UiO-67-Ru, which contributes to the superior regio -selectivity and catalytic activity. Furthermore, the stereo -selectivity of the obtained ( E )-α,β-unsaturated selenotrifluoromethyl compounds is well elucidated by means of density functional theory (DFT) calculations and canonical Monte Carlo (CMC) simulation.