Oxidative Addition to Palladium(0) Made Easy through Photoexcited-State Metal Catalysis: Experiment and Computation
Krach, Patricia E.
KAUST DepartmentChemical Science Program
KAUST Catalysis Center (KCC)
Physical Sciences and Engineering (PSE) Division
Online Publication Date2019-01-09
Print Publication Date2019-03-11
Permanent link to this recordhttp://hdl.handle.net/10754/631189
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AbstractVisible-light induced, palladium catalyzed alkylations of α,β-unsaturated acids with unactivated alkyl bromides are described. A variety of primary, secondary, and tertiary alkyl bromides are activated by the photoexcited palladium metal catalyst to provide a series of olefins at room temperature under mild reaction conditions. Mechanistic investigations and density functional theory (DFT) studies suggest that a photoinduced inner-sphere mechanism is operative in which a barrierless, single-electron transfer oxidative addition of the alkyl halide to Pd is key for the efficient transformation.
CitationKancherla R, Muralirajan K, Maity B, Zhu C, Krach PE, et al. (2019) Oxidative Addition to Palladium(0) Made Easy through Photoexcited-State Metal Catalysis: Experiment and Computation. Angewandte Chemie International Edition. Available: http://dx.doi.org/10.1002/anie.201811439.
SponsorsP.E.K. thanks the Deutsche Bundesstiftung Umwelt for a doctoral stipend. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP/2007–2013)/ ERC Grant Agreement no. 617044 (SunCatChem). B.M., C.Z. and L.C. acknowledge King Abdullah University of Science and Technology (KAUST) for computational resources of the supercomputer Shaheen II.