Olefin isomerization by iridium pincer catalysts. experimental evidence for an η 3-allyl pathway and an unconventional mechanism predicted by DFT calculations

Journal of the American Chemical Society

Volumn 134, Issue 32, 2012, Pages 13276-13295

  Biswas, Soumik ^a   Huang, Zheng ^b   Choliy, Yuriy ^a   Wang, David Y ^a   Brookhart, Maurice ^b   Krogh Jespersen, Karsten ^a   Goldman, Alan S ^a  

^a RUTGERS UNIVERSITY   (United States)

^b University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,3-SHIFT; ALLYL GROUPS; C-H BOND; DFT CALCULATION; DIHYDRIDES; DOUBLE BONDS; EXPERIMENTAL EVIDENCE; EXPERIMENTAL METHODS; FUNCTIONALS; HYDRIDE ADDITIONS; KINETICS EXPERIMENTS; OLEFIN COMPLEXES; OLEFIN ISOMERIZATION; OXIDATIVE CLEAVAGES;

DENSITY FUNCTIONAL THEORY; HYDRIDES; IRIDIUM COMPOUNDS; ISOMERIZATION; ISOMERS; PROPYLENE;

IRIDIUM;

ALKENE; CARBON; HYDROGEN; IRIDIUM;

ARTICLE; CATALYST; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; EXPERIMENT; HYDROGEN BOND; ISOMERIZATION; KINETICS; PREDICTION; SPECTROSCOPY;

EID: 84865130989     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja301464c     Document Type: Article

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