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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Bibliographic Details
Main Authors: Kim, Jeong Yun (Author), Kulik, Heather Janine (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2020-02-20T18:14:08Z.
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