Mechanism of Reppe's nickel-catalyzed ethyne tetramerization to cyclooctatetraene: A DFT study

Chemistry - A European Journal

Volumn 10, Issue 12, 2004, Pages 3081-3090

  Straub, Bernd F ^a   Gollub, Caroline ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

Alkyne ligands; C C coupling; Density functional calculations; Homogeneous catalysis; Nickel

Indexed keywords

CARBON; CATALYSIS; CATALYSTS; CHEMICAL BONDS; COMPLEXATION; COORDINATION REACTIONS; ISOMERIZATION;

BOND FORMATION; COMPLEXES; REACTION BARRIERS;

NICKEL COMPOUNDS;

ACETYLENE; ALKYNE; CARBON; COORDINATION COMPOUND; CYCLOOCTATETRAENE; CYCLOPENTADIENE DERIVATIVE; ETHYNE NICKELACYCLOPENTADIENE; LIGAND; NICKEL; NICKELACYCLONONATETRAENE; TETRAMER; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CATALYSIS; CATALYST; CHEMICAL BOND; CHEMICAL REACTION KINETICS; CIS ISOMER; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELIMINATION REACTION; ISOMERIZATION; LIGAND BINDING; MODEL; OLIGOMERIZATION; REACTION ANALYSIS; REDUCTION; TETRAMERIZATION; TRANS ISOMER;

EID: 3042704204     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200305666     Document Type: Article

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