Polyannulated Bis(N-heterocyclic carbene)palladium Pincer
Complexes for Electrocatalytic CO2 Reduction
Jeffrey A. Therrien, Michael O. Wolf,* and Brian O. Patrick
Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada
Inorg. Chem. DOI: 10.1021/acs.inorgchem.5b01698
Abstract:
Phenanthro- and pyreno-annulated N-heterocyclic
carbenes (NHCs) have been incorporated into lutidine-linked bisNHC
Pd pincer complexes to investigate the effect of these
polyannulated NHCs on the ability of the complexes to electrochemically
reduce CO2 to CO in the presence of 2,2,2-trifluoroacetic
acid and 2,2,2-trifluoroethanol as proton sources. These
complexes are screened for their ability to reduce CO2 and modeled
using density functional theory calculations, where the annulated
phenanthrene and pyrene moieties are shown to be additional sites
for redox activity in the pincer ligand, enabling increased electron
donation. Electrochemical and computational studies are used to
gain an understanding of the chemical significance of redox events
for complexes of this type, highlighting the importance of anion binding and dissociation.
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