Acrylate Formation via Metal-Assisted C-C Coupling between CO2 and C2H4: Reaction Mechanism as Revealed from Density Functional Calculations

Journal of the American Chemical Society

Volumn 125, Issue 48, 2003, Pages 14847-14858

  Schubert, Gábor ^a   Pápai, Imre ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; DIMERIZATION; OXIDATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

PHOSPHINE LIGANDS;

CARBON DIOXIDE;

ACRYLIC ACID; CARBON DIOXIDE; METHANE;

ARTICLE; CHEMICAL REACTION; DENSITY; DIMERIZATION; DISSOCIATION; ELECTRON TRANSPORT; ENERGY TRANSFER; MOLECULAR MODEL; OXIDATION; PROTON TRANSPORT; THEORETICAL MODEL;

EID: 84962467697     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja035791u     Document Type: Article

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