DFT investigation of the palladium-catalyzed ene-yne coupling

Chemistry - A European Journal

Volumn 16, Issue 31, 2010, Pages 9494-9501

  Henriksen, Signe Teuber ^a   Tanner, David ^a   Skrydstrup, Troels ^b   Norrby, Per Ola ^c  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b AARHUS UNIVERSITY   (Denmark)

^c UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

Density functional calculations; Ene yne coupling; Homogeneous catalysis; Palladium; Reaction mechanisms

Indexed keywords

CATALYTIC CYCLES; CHEMO-SELECTIVITY; DENSITY-FUNCTIONAL CALCULATIONS; DFT METHOD; E-ISOMERS; ENE-YNE; HOMOCOUPLING; HOMOGENEOUS CATALYSIS; PHOSPHINE LIGANDS; REACTION MECHANISM; REACTION PATHWAYS;

ACETYLENE; OLEFINS; PALLADIUM; PHOSPHORUS COMPOUNDS; REACTION KINETICS;

CATALYSIS;

ALKENE; ALKYNE; PALLADIUM;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; THEORETICAL MODEL;

ALKENES; ALKYNES; CATALYSIS; COMPUTER SIMULATION; MODELS, THEORETICAL; MOLECULAR STRUCTURE; PALLADIUM;

EID: 77955791971     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201001158     Document Type: Article

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