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• W2765641312 abstract "This paper reports experimental and computational studies on the mechanism of a rhodium-catalyzed hydroformylation that is selective for branched aldehyde products from unbiased alkene substrates. This highly unusual selectivity relies on a phospholane–phosphite ligand prosaically called BOBPHOS. Kinetic studies using in situ high pressure IR (HPIR) and the reaction progress kinetic analysis methodology suggested two steps in the catalytic cycle were involved as turnover determining. Negative order in CO and positive orders in alkene and H2 were found and the effect of hydrogen and carbon monoxide partial pressures on selectivity were measured. Labeling studies found rhodium hydride addition to the alkene to be largely irreversible. Detailed spectroscopic HPIR and NMR characterization of activated rhodium-hydrido dicarbonyl species were carried out. In the absence of H2, reaction of the rhodium-hydrido dicarbonyl with allylbenzene allowed further detailed spectroscopic characterization of four- and five-c..." @default.
• W2765641312 created "2017-11-10" @default.
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• W2765641312 date "2017-10-25" @default.
• W2765641312 modified "2023-10-06" @default.
• W2765641312 title "Understanding a Hydroformylation Catalyst that Produces Branched Aldehydes from Alkyl Alkenes" @default.
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• W2765641312 doi "https://doi.org/10.1021/jacs.7b09164" @default.
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• W2765641312 hasPublicationYear "2017" @default.
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