Reduction of Imines by Hydroxycyclopentadienyl Ruthenium Hydride:  Intramolecular Trapping Evidence for Hydride and Proton Transfer Outside the Coordination Sphere of the Metal

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DFT computations establish a detailed reaction mechanism for the first Pd-catalyzed decarbonylative phosphorylation of amides forming C–P bonds, which includes non-covalent interactions as well as proton transfer in the second coordination sphere.


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