Theoretical investigation of the selective C=C hydrogenation of unsaturated aldehydes catalyzed by [{RuCl<inf>2</inf>(mtppms)<inf>2</inf>}<inf>2</inf>] in acidic media

Keyphrases

• Hydrogenation 100%
• Acidic Medium 100%
• Unsaturated Aldehyde 100%
• Hydrogen Bonds (H-bonds) 66%
• Water-soluble 33%
• C-C Bond 33%
• Protonation 33%
• Density Functional Theory 33%
• Carbon Atom 33%
• Ruthenium 33%
• Active Species 33%
• Two-pathway 33%
• Reaction Intermediates 33%
• ONIOM Calculations 33%
• Acidic Aqueous Solution 33%
• High Barrier 33%
• Phosphine Complexes 33%
• Hydroxonium Ion 33%
• Cinnamaldehyde Hydrogenation 33%

Chemistry

• Hydrogenation 100%
• Hydrogen Bond 100%
• Aldehyde 100%
• hydrogenation of C=C 100%
• Water Soluble 50%
• Density Functional Theory 50%
• Ruthenium 50%
• Carbon Atom 50%
• Cinnamaldehyde 50%
• Reaction Intermediate 50%
• protonation 50%
• Aqueous Solution 50%
• Solution 50%