• Login
    View Item 
    •   Home
    • Research
    • Articles
    • View Item
    •   Home
    • Research
    • Articles
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

    All of KAUSTCommunitiesIssue DateSubmit DateThis CollectionIssue DateSubmit Date

    My Account

    Login

    Quick Links

    Open Access PolicyORCID LibguideTheses and Dissertations LibguideSubmit an Item

    Statistics

    Display statistics

    Making oxidation potentials predictable: Coordination of additives applied to the electronic fine tuning of an iron(II) complex

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Type
    Article
    Authors
    Haslinger, Stefan
    Kück, Jens W.
    Hahn, Eva M.
    Cokoja, Mirza
    Pöthig, Alexander
    Basset, Jean-Marie cc
    Kühn, Fritz
    KAUST Department
    Chemical Science Program
    KAUST Catalysis Center (KCC)
    Physical Science and Engineering (PSE) Division
    Date
    2014-10-21
    Online Publication Date
    2014-10-21
    Print Publication Date
    2014-11-03
    Permanent link to this record
    http://hdl.handle.net/10754/563842
    
    Metadata
    Show full item record
    Abstract
    This work examines the impact of axially coordinating additives on the electronic structure of a bioinspired octahedral low-spin iron(II) N-heterocyclic carbene (Fe-NHC) complex. Bearing two labile trans-acetonitrile ligands, the Fe-NHC complex, which is also an excellent oxidation catalyst, is prone to axial ligand exchange. Phosphine- and pyridine-based additives are used for substitution of the acetonitrile ligands. On the basis of the resulting defined complexes, predictability of the oxidation potentials is demonstrated, based on a correlation between cyclic voltammetry experiments and density functional theory calculated molecular orbital energies. Fundamental insights into changes of the electronic properties upon axial ligand exchange and the impact on related attributes will finally lead to target-oriented manipulation of the electronic properties and consequently to the effective tuning of the reactivity of bioinspired systems.
    Citation
    Haslinger, S., Kück, J. W., Hahn, E. M., Cokoja, M., Pöthig, A., Basset, J.-M., & Kühn, F. E. (2014). Making Oxidation Potentials Predictable: Coordination of Additives Applied to the Electronic Fine Tuning of an Iron(II) Complex. Inorganic Chemistry, 53(21), 11573–11583. doi:10.1021/ic501613a
    Sponsors
    This work is based on funding by Award KSA-00069/UK-C0020, made by KAUST. The authors gratefully acknowledge the Gauss Centre for Supercomputing eV for funding this project by providing computing time on the GCS Supercomputer SuperMUC at Leibniz Supercomputing Centre, and the TUM-GS is acknowledged for support. J.W.K. thanks the Studienstiftung des Deutsdien Volkes for support, and S.H. is thankful to Maike H. Wahl for her valuable contributions.
    Publisher
    American Chemical Society (ACS)
    Journal
    Inorganic Chemistry
    DOI
    10.1021/ic501613a
    Relations
    Is Supplemented By:
    • [Dataset]
      Haslinger, S., Kück, J. W., Hahn, E. M., Cokoja, M., Pöthig, A., Basset, J.-M., & Kühn, F. E. (2015). CCDC 992643: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc129xr1. DOI: 10.5517/cc129xr1 HANDLE: 10754/624305
    • [Dataset]
      Haslinger, S., Kück, J. W., Hahn, E. M., Cokoja, M., Pöthig, A., Basset, J.-M., & Kühn, F. E. (2015). CCDC 992644: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc129xs2. DOI: 10.5517/cc129xs2 HANDLE: 10754/624306
    • [Dataset]
      Haslinger, S., Kück, J. W., Hahn, E. M., Cokoja, M., Pöthig, A., Basset, J.-M., & Kühn, F. E. (2015). CCDC 992645: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc129xt3. DOI: 10.5517/cc129xt3 HANDLE: 10754/624307
    • [Dataset]
      Haslinger, S., Kück, J. W., Hahn, E. M., Cokoja, M., Pöthig, A., Basset, J.-M., & Kühn, F. E. (2015). CCDC 992646: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc129xv4. DOI: 10.5517/cc129xv4 HANDLE: 10754/624308
    ae974a485f413a2113503eed53cd6c53
    10.1021/ic501613a
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

    entitlement

     
    DSpace software copyright © 2002-2023  DuraSpace
    Quick Guide | Contact Us | KAUST University Library
    Open Repository is a service hosted by 
    Atmire NV
     

    Export search results

    The export option will allow you to export the current search results of the entered query to a file. Different formats are available for download. To export the items, click on the button corresponding with the preferred download format.

    By default, clicking on the export buttons will result in a download of the allowed maximum amount of items. For anonymous users the allowed maximum amount is 50 search results.

    To select a subset of the search results, click "Selective Export" button and make a selection of the items you want to export. The amount of items that can be exported at once is similarly restricted as the full export.

    After making a selection, click one of the export format buttons. The amount of items that will be exported is indicated in the bubble next to export format.