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Mechanism and Kinetics of the wacker process: A Quantum Mechanical Approach
Year: 2008
Abstract:
Study of the mechanism of the Wacker oxidation is of great importance for many reasons. Thus far, from a theoretical point of view, particularly in connection with the rate-determining step, no mechanism has been presented ...
H-Transfer steps of the Wacker process: A DFT study
Year: 2009
Abstract:
The Wacker process involves a number of organometallic reactions, particularly the b-hydrogen elimination, 1,2-insertion and the OAH bond cleavage reactions. This work seeks to fully explore the mechanism of these H-transfer ...
Synthesis, experimental and theoretical characterization of tetra dentate N,N -dipyridoxyl (1,3-propylenediamine) salen ligand and its Co(III) complex
Year: 2008
Abstract:
Abstract The new tetra dentate dianionic H2PS (N,N′-dipyridoxyl (1,3-propylenediamine)) Schiff-base ligand and its octahedral Co(III) salen complex [Co(PS)(H2O)(CH3OH)]+CH3COO− were synthesized, where coordinating atoms ...