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Title: CO 2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands

In an effort to design concepts for highly active catalysts for the hydrogenation of CO 2 to formate in basic water, we have prepared in this paper several catalysts with picolinic acid, picolinamide, and its derivatives, and we investigated their catalytic activity. The CO 2 hydrogenation catalyst having a 4-hydroxy-N-methylpicolinamidate ligand exhibited excellent activity even under ambient conditions (0.1 MPa, 25 °C) in basic water, exhibiting a TON of 14700, a TOF of 167 h –1, and producing a 0.64 M formate concentration. Finally, its high catalytic activity originates from strong electron donation by the anionic amide moiety in addition to the phenolic O functionality.
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  1. National Inst. of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan)
  2. Baruch College, New York, NY (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 2155-5435; R&D Project: CO026; KC0304030
Grant/Contract Number:
SC0012704; JPMJCR12Z0
Published Article
Journal Name:
ACS Catalysis
Additional Journal Information:
Journal Volume: 7; Journal Issue: 10; Journal ID: ISSN 2155-5435
American Chemical Society (ACS)
Research Org:
Brookhaven National Lab. (BNL), Upton, NY (United States); National Inst. of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Japan Science and Technology Agency (JST)
Country of Publication:
United States
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; CO2 hydrogenation; deprotonated picolinamide ligand; DFT calculations; formate production; hydrogen storage; water-soluble Ir catalysts
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1395940