Understanding ketone hydrogenation catalysis with anionic iridium() complexes : the crucial role of counterion and solvation

Keyphrases

• Iridium Complex 100%
• Counterion 100%
• Hydrogenation Catalyst 100%
• Solvation 100%
• Ketone Hydrogenation 100%
• Alkali Metal Cations 100%
• Catalyst Activity 100%
• Enantioselectivity 66%
• Coordination Sphere 66%
• Active Catalyst 66%
• DFT Calculations 66%
• Alkoxide 66%
• In Situ 33%
• Catalytic Cycle 33%
• Hydrides 33%
• Rational Design 33%
• Ketones 33%
• Selective Catalyst 33%
• Solvent Molecules 33%
• Chiral Alcohols 33%
• Outer-sphere 33%
• Asymmetric Hydrogenation 33%
• Strong Base 33%
• Solvate 33%
• Isopropanol 33%
• Geometrical Parameters 33%
• Bidentate Ligands 33%
• Hydride Transfer 33%
• Na-K 33%
• Solvation Shell 33%
• Explicit Solvent 33%
• 18-crown-6 33%
• Acetophenone 33%
• Solvation Model 33%
• Counterion Effect 33%
• Cation Coordination 33%
• Explicit Solvent Model 33%
• K-systems 33%
• Sustainable Catalyst 33%
• Catalytic Asymmetric Hydrogenation 33%
• Hybrid Implicit-explicit 33%

Chemistry

• Hydrogenation 100%
• Solvation 100%
• Iridium 100%
• Counterion 100%
• Ketone 100%
• Alkali Metal Cation 75%
• Catalyst Activity 75%
• Coordination Sphere 50%
• Enantioselectivity 50%
• Density Functional Theory 50%
• 18-Crown-6 25%
• Isopropyl Group 25%
• Acetophenone 25%
• Chemical Oxygen Demand 25%
• Base 25%
• catalytic cycle 25%
• Transition Metal 25%
• hydrogenation of ketones 25%