When Is Ligand pK[subscript a] a Good Descriptor for Catalyst Energetics? In Search of Optimal CO₂ Hydration Catalysts
We present a detailed study of nearly 70 Zn molecular catalysts for CO₂ hydration from four diverse ligand classes ranging from well-studied carbonic anhydrase mimics (e.g., cyclen) to new structures we obtain by leveraging diverse hits from large organic libraries. Using microkinetic analysis and e...
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| Format: | Article |
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American Chemical Society (ACS)
2020
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| Online Access: | https://hdl.handle.net/1721.1/123833 |