Iridicycle-Catalysed Imine Reduction: An Experimental and Computational Study of the Mechanism - Chen, Hsin-Yi Tiffany; Wang, Chao; Wu, Xiaofeng; Jiang, Xue; Catlow, C. Richard A.; Xiao, Jianliang (Chemistry : a European journal, 2015)
Keywords: Catalysts; Chemistry; Chemistry, Multidisciplinary; Computer applications; density functional calculations; Density functional theory; Formates; Formations; Formic acid; homogeneous catalysis; Hydrides; Imines; Ion pairs; iridium; Kinetics; Magnetic resonance spectroscopy; Methanol; Methyl alcohol; NMR; NMR spectroscopy; Nuclear magnetic resonance; Physical Sciences; Reaction kinetics; Reduction; Science & Technology; transfer hydrogenation; Vapor phases; LIGAND BIFUNCTIONAL CATALYSIS; ASYMMETRIC TRANSFER HYDROGENATION; EFFECTIVE CORE POTENTIALS; imines; transfer hydrogenation; CARBON-DIOXIDE HYDROGENATION; ELASTIC BAND METHOD; DENSITY-FUNCTIONAL THERMOCHEMISTRY; AB-INITIO PSEUDOPOTENTIALS; iridium; density functional calculations; CYCLOMETALATED IRIDIUM COMPLEXES; homogeneous catalysis; HYDROXYCYCLOPENTADIENYL RUTHENIUM HYDRIDE; FORMIC-ACID DEHYDROGENATION