Mechanism of alkyne alkoxycarbonylation at a Pd catalyst with P,N hemilabile ligands: A density functional study

Chemistry - A European Journal

Volumn 20, Issue 43, 2014, Pages 13923-13926

  Crawford, Luke ^a   Cole Hamilton, David J ^a   Drent, Eite ^b   Bühl, Michael ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

^b LEIDEN UNIVERSITY   (Netherlands)

Author keywords

alkynes; density functional calculations; homogeneous catalysis; palladium; reaction mechanisms

Indexed keywords

CATALYSIS; CATALYST SELECTIVITY; CATALYST SUPPORTS; CATALYSTS; ESTERS; HYDROCARBONS; LAPTOP COMPUTERS; LIGANDS; PALLADIUM;

ALKYNES; DENSITY-FUNCTIONAL STUDY; DISPERSION CORRECTION; EXPERIMENTAL REQUIREMENTS; HOMOGENEOUS CATALYSIS; METHYL METHACRYLATES; REACTION MECHANISM; THREE ORDERS OF MAGNITUDE;

DENSITY FUNCTIONAL THEORY;

EID: 84941050001     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201403983     Document Type: Article

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