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Defluorination of HFCs by a magnesium reagent.

ABSTRACT: Reaction of a series of HFCs with a main group reagent containing a Mg-Mg bond results in defluorination to form the corresponding magnesium fluoride complex. In the case of 1,1,1,2-tetrafluoroethane (HFC-134a) generation of the fluoride occurs alongside selective formation of 1,1-difluoroethene. DFT calculations have been carried out to better understand the selectivity and compare the barriers for sp³ C-F bond activation with sp³ C-H bond activation in this system.

SUBMITTER: Sheldon DJ

PROVIDER: S-EPMC11019403 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature

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Defluorination of HFCs by a magnesium reagent.

Sheldon Daniel J DJ Parr Joseph M JM Crimmin Mark R MR

Dalton transactions (Cambridge, England : 2003) 20240416 15

Reaction of a series of HFCs with a main group reagent containing a Mg-Mg bond results in defluorination to form the corresponding magnesium fluoride complex. In the case of 1,1,1,2-tetrafluoroethane (HFC-134a) generation of the fluoride occurs alongside selective formation of 1,1-difluoroethene. DFT calculations have been carried out to better understand the selectivity and compare the barriers for sp<sup>3</sup> C-F bond activation with sp<sup>3</sup> C-H bond activation in this system. ...[more]

PMID: 38563682

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