Mechanistic study of Ru-NHC-catalyzed hydrodefluorination of fluoropyridines: The influence of the NHC on the regioselectivity of C-F activation and chemoselectivity of C-F versus C-H bond cleavage

ACS Catalysis

Volumn 5, Issue 2, 2015, Pages 776-787

  McKay, David ^a   Riddlestone, Ian M ^b   Macgregor, Stuart A ^a   Mahon, Mary F ^b   Whittlesey, Michael K ^b  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

^b University of Bath Claverton Down   (United Kingdom)

Author keywords

catalysis; DFT; hydrodefluorination; mechanism; N heterocyclic carbenes; pentafluoropyridine; ruthenium

Indexed keywords

ACTIVATION ANALYSIS; CATALYSIS; CATALYSTS; CHEMICAL ACTIVATION; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; MECHANISMS; ORGANIC COMPOUNDS; REGIOSELECTIVITY; RUTHENIUM;

CH-BOND ACTIVATION; CHEMICAL EQUATIONS; COMPUTATIONAL STUDIES; DFT; HYDRODEFLUORINATION; MECHANISTIC STUDIES; N-HETEROCYCLIC CARBENES; PENTAFLUOROPYRIDINE;

CHEMICAL BONDS;

EID: 84922776832     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs501644r     Document Type: Article

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