Buhaibeh, Ruqaya; Filippov, Oleg A.; Bruneau-Voisine, Antoine; Willot, Jeremy; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noel; Canac, Yves; Sortais, Jean-Baptiste published the artcile< Phosphine-NHC Manganese Hydrogenation Catalyst Exhibiting a Non-Classical Metal-Ligand Cooperative H2 Activation Mode>, Application In Synthesis of 403-41-8, the main research area is manganese NHC phosphine complex hydrogenation catalyst cooperative hydrogen activation; DFT calculations; N-heterocyclic carbenes; manganese; metal-ligand cooperation; phosphonium ylides.
Deprotonation of the MnI NHC-phosphine complex fac-[MnBr(CO)3(κ2P,C-Ph2PCH2NHC)] (2, II) under a H2 atmosphere readily gives the hydride fac-[MnH(CO)3(κ2P,C-Ph2PCH2NHC)] (3, III) via the intermediacy of the highly reactive 18-e NHC-phosphinomethanide complex fac-[Mn(CO)3(κ3P,C,C-Ph2PCHNHC)] (6a, VI). DFT calculations revealed that the preferred reaction mechanism involves the unsaturated 16-e mangana-substituted phosphonium ylide complex fac-[Mn(CO)3(κ2P,C-Ph2P=CHNHC)] (6 b) as key intermediate able to activate H2 via a non-classical mode of metal-ligand cooperation implying a formal λ5-P-λ3-P phosphorus valence change. Complex 2 is shown to be one of the most efficient pre-catalysts for ketone hydrogenation in the MnI series reported to date (TON up to 6200).
Angewandte Chemie, International Edition published new progress about Carbene complexes, N-heterocyclic, transition metal complexes Role: CAT (Catalyst Use), PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), USES (Uses), PROC (Process), PREP (Preparation). 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Application In Synthesis of 403-41-8.
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