A mechanistic study of ni-catalyzed carbon dioxide coupling with ethylene towards the manufacture of acrylic acid

ChemCatChem

Volumn 6, Issue 3, 2014, Pages 800-807

  Yang, Gang ^a   Schäffner, Benjamin ^b   Blug, Matthias ^b   Hensen, Emiel J M ^a   Pidko, Evgeny A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b EVONIK INDUSTRIES AG   (Germany)

Author keywords

ab initio calculations; carbon dioxide; homogeneous catalysis; nickel; reaction mechanisms

Indexed keywords

AB INITIO CALCULATIONS; CATALYTIC COUPLING; HOMOGENEOUS CATALYSIS; MECHANISTIC STUDIES; PHOSPHOROUS LIGANDS; RATE DETERMINING STEP; REACTION MECHANISM; REDUCTIVE ELIMINATION;

CARBON DIOXIDE; CARBOXYLIC ACIDS; CATALYSIS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ETHYLENE; LIGANDS; NICKEL; PHOSPHORUS; REACTION KINETICS;

REACTION INTERMEDIATES;

EID: 84896854421     PISSN: 18673880     EISSN: 18673899     Source Type: Journal    
DOI: 10.1002/cctc.201301051     Document Type: Article

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