Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes

Keyphrases

• Co(III) Complex 100%
• Hydrogen Evolution 100%
• Reduction Potential 100%
• Cobaloxime 100%
• Mechanistic Pathways 100%
• Cobalt Complex 60%
• Bimetallic 60%
• Co(II) 60%
• Reorganization Energy 40%
• Monometallic 40%
• H-complexes 40%
• Density Functional Theory 20%
• Metal Electrode 20%
• Electron Transfer 20%
• Inner Sphere 20%
• Reduction Method 20%
• Hydride Reduction 20%
• Acetonitrile 20%
• Reaction Pathway 20%
• Computational Methods 20%
• Hydride Complexes 20%
• Experimental Values 20%
• Axial Ligand 20%
• Solar Energy Conversion 20%
• Isodesmic Reactions 20%
• Cyclic Voltammetry 20%
• PK a 20%
• Intramolecular Rearrangement 20%
• Complex Potential 20%
• Energy Accounting 20%
• Relative Reduction 20%
• Solvent Reorganization Energy 20%
• Free Energy Diagram 20%
• Dimethylglyoxime 20%
• Mechanistic Insights 20%
• Hydrogen Production Pathways 20%

Chemistry

• Reduction Potential 100%
• Hydrogen 100%
• Reorganization Energy 60%
• Cobalt 60%
• pKa 40%
• Solar Energy Conversion 20%
• Hydrogen Production 20%
• Cyclic Voltammetry 20%
• Acetonitrile 20%
• Electrostatic Force 20%
• Electron Transport 20%
• Free Energy 20%
• Density Functional Theory 20%
• Catalyst 20%