The
selective hydrogenation of alkynes to alkenes is an important
type of organic transformation with large-scale industrial applications.
This transformation requires efficient catalysts with precise selectivity
control, and palladium-based metallic catalysts are currently employed.
Here we show that four-coordinated cationic nickel(II) confined in
zeolite can efficiently catalyze the selective hydrogenation of acetylene
to ethylene, a key process for trace acetylene removal prior to the
polymerization process. Under optimized conditions, 100% acetylene
conversion and an ethylene selectivity up to 97% are simultaneously
achieved. This catalyst system also exhibits good stability and recyclability
for potential applications. Spectroscopy investigations and density
functional theory calculations reveal the heterolytic dissociation
of hydrogen molecules and the importance of hydride and protons in
the selective hydrogenation of acetylene to ethylene. This work provides
an efficient strategy toward active and selective zeolite catalysts
by utilizing the local electrostatic field within the zeolite confined
space for small-molecule activation and by linking heterogeneous and
homogeneous catalysis.