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<sub>3</sub>• radical species can be effectively stabilized within the confined space of UiO-67-Ru, which contributes to the superior <i>regio</i>-selectivity and catalytic activity. Furthermore, the <i>stereo</i>-selectivity of the obtained (<i>E</i>)-α,β-unsaturated selenotrifluoromethyl compounds is well elucidated by means of density functional theory (DFT) calculations and canonical Monte Carlo (CMC) simulation.

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Publication Details

Journal
Organic Letters
Published
2025-06-21
DOI
https://doi.org/10.1021/acs.orglett.5c01983
Citations
2
Primary Topic
Fluorine in Organic Chemistry
Type
article
Field-Weighted Citation Impact
1.58

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article

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

Jiewei Liu, Cong Zhao, Yan‐Zhong Fan, Yajun Zhao et al.
2 citations
Organic Letters
Fluorine in Organic Chemistry
1.58
article

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

Jiewei Liu, Cong Zhao, Yan‐Zhong Fan, Yajun Zhao, Lu Chen, Ya Li, Jiabin Chen, Guangqing Wang, X. LAN
article en
2 citations

Abstract

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

Organic LettersVol. 27(26)
Society of Automotive Engineers International (US), South China University of Technology (CN), Wuyi University (CN)
National Natural Science Foundation of China, Department of Education of Guangdong Province
Openalex Percentile: Top 16%
Fluorine in Organic Chemistry
1.58
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