Computational results provide a synthetically unprecedented explanation for the β-regioselectivity in the Rh-catalyzed hydroformylation of vinylidenic substrates

European Journal of Inorganic Chemistry

Volumn , Issue 1, 2009, Pages 98-103

  Ghio, Caterina ^a   Lazzaroni, Raffaello ^b   Alagona, Giuliano ^a  

^a CNR   (Italy)

^b UNIVERSITY OF PISA   (Italy)

Author keywords

Density functional calculations; Homogeneous catalysis; Hydroformylation; Regioselectivity

Indexed keywords

ALDEHYDES; CATALYSIS; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; FREE ENERGY; HEURISTIC METHODS; HYDROFORMYLATION; OLEFINS; ORGANOMETALLICS; REACTION INTERMEDIATES; RHODIUM COMPOUNDS;

ACTIVATION BARRIERS; BRANCHED ALDEHYDES; COMPUTATIONAL RESULTS; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; DIPHENYLETHENE; HOMOGENEOUS CATALYSIS; TEST CASE; VINYLIDENIC; ]+ CATALYST;

REGIOSELECTIVITY;

EID: 58249115058     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200800684     Document Type: Article

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