Show simple item record

dc.contributor.authorMc Donald, Aidan
dc.date.accessioned2025-03-10T11:30:27Z
dc.date.available2025-03-10T11:30:27Z
dc.date.issued2024
dc.date.submitted2024en
dc.identifier.citationPhilipp Heim, Sachidulal Biswas, Hugo Lopez, Robert Gericke, Brendan Twamley, Aidan R. McDonald, A CoII-Hydroxide Complex That Converts Directly to a CoII-Acetamide during Catalytic Nitrile Hydration, Inorganic Chemistry, 63, 17, 2024, 7896-7902en
dc.identifier.otherY
dc.descriptionPUBLISHEDen
dc.description.abstractIn exploring structural and functional mimics ofnitrile hydratases, we report the synthesis of the pseudo-trigonalbipyramidal CoII complexes (K)[CoII(DMF)(LPh)] (1(DMF)),(NMe4)2[CoII(OAc)(LPh)] (1(OAc)), and (NMe4)2[CoII(OH)-(LPh)] (1(OH)) (LPh = 2,2′,2’’-nitrilo-tris-(N-phenylacetamide;DMF = N,N-dimethylformamide; −OAc = acetate)). Thecomplexes were characterized using NMR, FT-IR, ESI-MS,electronic absorption spectroscopy, and X-ray crystallography,showing the LPh ligand to bind in a tetradentate tripodal fashionalongside the respective ancillary donor. One of the complexes,1(OH), is an unusual structural and functional mimic of the Coactive site in Co nitrile hydratases. 1(OH) reacted with acetonitrile to yield the CoII-acetamide complex (NMe4)2[CoII(NHC-(O)CH3)(LPh)], 2, which was also thoroughly characterized. In the presence of excess hydroxide, 1(OH) was found to catalyzequantitative conversion of the added hydroxide into acetamide. Despite the differences in Co oxidation state in nitrile hydratases and1(OH) (CoIII versus CoII, respectively), 1(OH) was nonetheless an effective nitrile hydration catalyst, selectively producingacetamide over multiple turnoversen
dc.format.extent7896-7902en
dc.language.isoenen
dc.relation.ispartofseriesInorganic Chemistry;
dc.relation.ispartofseries63;
dc.relation.ispartofseries17;
dc.rightsYen
dc.subjectnitrile hydratasesen
dc.subjectpseudo-trigonalbipyramidal CoII complexesen
dc.subjectelectronic absorption spectroscopen
dc.titleA CoII-Hydroxide Complex That Converts Directly to a CoII-Acetamide during Catalytic Nitrile Hydrationen
dc.typeJournal Articleen
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/aimcdona
dc.identifier.rssinternalid265795
dc.identifier.doihttp://dx.doi.org/10.1021/acs.inorgchem.4c00754
dc.rights.ecaccessrightsopenAccess
dc.identifier.orcid_id0000-0002-8930-3256
dc.contributor.sponsorScience Foundation Ireland (SFI)en
dc.contributor.sponsorGrantNumberSFI/15/RS-URF/3307en
dc.identifier.urihttps://hdl.handle.net/2262/111273


Files in this item

Thumbnail
Thumbnail

This item appears in the following Collection(s)

Show simple item record