Palladium-bearing intermetallic electride as an efficient and stable catalyst for Suzuki cross-coupling reactions

Tian-Nan Ye (), Yangfan Lu, Zewen Xiao, Jiang Li, Takuya Nakao, Hitoshi Abe, Yasuhiro Niwa, Masaaki Kitano, Tomofumi Tada and Hideo Hosono ()
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Tian-Nan Ye: Tokyo Institute of Technology
Yangfan Lu: Tokyo Institute of Technology
Zewen Xiao: Huazhong University of Science and Technology
Jiang Li: Tokyo Institute of Technology
Takuya Nakao: Tokyo Institute of Technology
Hitoshi Abe: High Energy Accelerator Research Organization, KEK
Yasuhiro Niwa: High Energy Accelerator Research Organization, KEK
Masaaki Kitano: Tokyo Institute of Technology
Tomofumi Tada: Tokyo Institute of Technology
Hideo Hosono: Tokyo Institute of Technology

Nature Communications, 2019, vol. 10, issue 1, 1-10

Abstract: Abstract Suzuki cross-coupling reactions catalyzed by palladium are powerful tools for the synthesis of functional organic compounds. Excellent catalytic activity and stability require negatively charged Pd species and the avoidance of metal leaching or clustering in a heterogeneous system. Here we report a Pd-based electride material, Y3Pd2, in which active Pd atoms are incorporated in a lattice together with Y. As evidenced from detailed characterization and density functional theory (DFT) calculations, Y3Pd2 realizes negatively charged Pd species, a low work function and a high carrier density, which are expected to be beneficial for the efficient Suzuki coupling reaction of activated aryl halides with various coupling partners under mild conditions. The catalytic activity of Y3Pd2 is ten times higher than that of pure Pd and the activation energy is lower by nearly 35%. The Y3Pd2 intermetallic electride catalyst also exhibited extremely good catalytic stability during long-term coupling reactions.

Date: 2019
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DOI: 10.1038/s41467-019-13679-0

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