• 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

    Mechanism of CO 2 Fixation by Ir I -X Bonds (X = OH, OR, N, C)

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Type
    Article
    Authors
    Vummaleti, Sai V. C. cc
    Talarico, Giovanni cc
    Nolan, Steven P. cc
    Cavallo, Luigi cc
    Poater, Albert cc
    KAUST Department
    Chemical Science Program
    KAUST Catalysis Center (KCC)
    Physical Science and Engineering (PSE) Division
    Date
    2015-09-08
    Online Publication Date
    2015-09-08
    Print Publication Date
    2015-10
    Permanent link to this record
    http://hdl.handle.net/10754/594107
    
    Metadata
    Show full item record
    Abstract
    Density functional theory calculations have been used to investigate the CO2 fixation mechanism proposed by Nolan et al. for the IrI complex [Ir(cod)(IiPr)(OH)] (1; cod = 1,5-cyclooctadiene; IiPr = 1,3-diisopropylimidazol-2-ylidene) and its derivatives. For 1, our results suggest that CO2 insertion is the rate-limiting step rather than the dimerization step. Additionally, in agreement with the experimental results, our results show that CO2 insertion into the Ir-OR1 (R1 = H, methyl, and phenyl) and Ir-N bonds is kinetically facile, and the calculated activation energies span a range of only 12.0-23.0 kcal/mol. Substantially higher values (35.0-50.0 kcal/mol) are reported for analogous Ir-C bonds. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
    Citation
    Vummaleti SVC, Talarico G, Nolan SP, Cavallo L, Poater A (2015) Mechanism of CO 2 Fixation by Ir I -X Bonds (X = OH, OR, N, C) . European Journal of Inorganic Chemistry 2015: 4653–4657. Available: http://dx.doi.org/10.1002/ejic.201500905.
    Publisher
    Wiley
    Journal
    European Journal of Inorganic Chemistry
    DOI
    10.1002/ejic.201500905
    10.1002/ejic.201590112
    ae974a485f413a2113503eed53cd6c53
    10.1002/ejic.201500905
    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.