A Magnetically Separable Pd Single-Atom Catalyst for Efficient Selective Hydrogenation of Phenylacetylene

Area of Science:

• Catalysis
• Materials Science
• Organic Chemistry

Background:

• Selective hydrogenation of alkynes to alkenes is vital for fine chemical synthesis.
• Achieving high selectivity, activity, and catalyst separation simultaneously remains a challenge.

Purpose of the Study:

• To develop a highly active, selective, and magnetically recyclable catalyst for the semi-hydrogenation of phenylacetylene.
• To investigate the catalytic mechanism using experimental and theoretical methods.

Main Methods:

• Anchoring palladium single-atom catalysts onto magnetic Ni@G core-shell nanoparticles.
• Performing semi-hydrogenation of phenylacetylene under mild conditions.
• Utilizing experimental and density functional theory (DFT) calculations for mechanistic studies.

Main Results:

• Achieved 93% selectivity to styrene at full conversion of phenylacetylene.
• Obtained a high turnover frequency of 7074 h⁻¹ under mild conditions (303 K, 2 bar H₂).
• Demonstrated excellent catalyst stability over five cycles due to magnetic recyclability.

Conclusions:

• The developed Pd single-atom catalyst on Ni@G support exhibits superior performance in selective alkyne hydrogenation.
• The Ni@G support and atomically dispersed Pd atoms synergistically enhance catalytic activity and selectivity.
• This strategy provides a pathway for designing advanced, recyclable catalysts for liquid-phase hydrogenation reactions.