A computational study of rhodium pincer complexes with classical and nonclassical hydride centres as catalysts for the hydroamination of ethylene with ammonia

Chemistry - A European Journal

Volumn 16, Issue 30, 2010, Pages 9203-9214

  Uhe, Andreas ^a   Hölscher, Markus ^a   Leitner, Walter ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Density functional calculations; Homogeneous catalysis; Hydroamination; Pincer complexes; Rhodium

Indexed keywords

ACTIVATION BARRIERS; ACTIVATION PATHWAY; ACTIVE CATALYST; BOND FORMATION; BOND FORMING; CARBON CHAINS; CATALYST PRECURSORS; CATALYST SYSTEM; CATALYTIC CYCLES; CATALYTICALLY ACTIVE SPECIES; COMPLEX FRAGMENTS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL CALCULATIONS; ETHYLAMINE; EXPERIMENTAL SYSTEM; H-BONDS; HOMOGENEOUS CATALYSIS; HYDROAMINATIONS; KEY REACTIONS; OLIGOMERISATION; PINCER COMPLEXES; SIDE REACTIONS;

AMINATION; AMMONIA; BENZENE; BENZENE REFINING; CATALYSIS; CATALYSTS; CHEMICAL BONDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ETHYLENE; IRIDIUM; OLIGOMERIZATION; REACTION KINETICS; RHODIUM; SYNTHESIS (CHEMICAL);

RHODIUM COMPOUNDS;

EID: 77955443531     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201000669     Document Type: Article

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