Active anionic zero-valent palladium catalysts: Characterization by density functional calculations

Chemistry - A European Journal

Volumn 10, Issue 12, 2004, Pages 3072-3080

  Kozuch, Sebastian ^a   Shaik, Sason ^a   Jutand, Anny ^b   Amatore, Christian ^b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

Cross coupling; Density functional calculations; Heck reaction; Ligand effects; Palladium

Indexed keywords

BONDING; CATALYSIS; COMPLEXATION; DISSOCIATION; INFRARED RADIATION; NUCLEAR MAGNETIC RESONANCE; PALLADIUM;

CATALYTIC CYCLES; CROSS-COUPLING REACTIONS; DISSOCIATION ENERGIES;

CATALYSTS;

ANION; BROMINE; CHLORINE; COORDINATION COMPOUND; HALOGEN; HYDROGEN; IODINE; LIGAND; METHYL GROUP; OXIDE; PALLADIUM; PHENYL GROUP; TRIFLUOROACETIC ACID; VINYL DERIVATIVE;

ARTICLE; CATALYST; CHEMICAL BOND; COMPLEX FORMATION; CROSS COUPLING REACTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; GAS; GEOMETRY; HECK REACTION; INFRARED SPECTROSCOPY; MOLECULAR INTERACTION; MOLECULAR STABILITY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 3042825014     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200306056     Document Type: Article

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