Rh complexes of 1-(2,4,6-triisopropylphenyl-)3-methyl-1H-phosphole: preparation and use as catalysts in the hydroformylation of styrene |
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| Authors: | Irina Odinets Tamás Körtvélyesi Tamás Kégl László Kollár György Keglevich |
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| Affiliation: | (1) A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, 119991, Russian Federation;(2) Department of Physical Chemistry, University of Szeged, Szeged, 6701, Hungary;(3) Research Group for Petrochemistry of the Hungarian Academy of Sciences, Veszprém, 8200, Hungary;(4) Department of Inorganic Chemistry, University of Pécs and Research Group for Chemical Sensors of the Hungarian Academy of Sciences, Pécs, 7624, Hungary;(5) Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Budapest, 1521, Hungary |
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| Abstract: | In the series of 1-(2,4,6-trialkylphenyl-)3-methyl-1H-phospholes (1a–c) that are to a certain extent of aromaticity, only the isopropyl substituted one (1a) entered into reaction with dimeric (pentamethylcyclopentadienyl)rhodium dichloride to afford Rh(III) complex (2a) in a reversible manner. After a careful workup, (2a) could be prepared and characterized whose stereostructure was elucidated by B3LYP/3–21G*, B3LYP/6–31G* and LANL2DZ calculations. Complex (2a) as a preformed catalyst, as well as the Rh(acac)(CO)2 + 2(1a) in situ catalytic system were useful in the hydroformylation of styrene and gave the branched aldehyde in regioselectivities of 65–96%. |
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