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    Regression analysis of properties of [Au(IPr)(CHR2)] complexes

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    Type
    Article
    Authors
    Veenboer, Richard M P
    Azofra, Luis Miguel
    Gasperini, Danila
    Collado, Alba
    Cordes, David B
    Slawin, Alexandra M Z
    Cavallo, Luigi cc
    Nolan, Steven P
    KAUST Department
    Chemical Science Program
    KAUST Catalysis Center (KCC)
    Physical Science and Engineering (PSE) Division
    Date
    2019
    Permanent link to this record
    http://hdl.handle.net/10754/652814
    
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    Abstract
    New [Au(IPr)(CHR2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH2R2. An array of spectroscopic (IR and NMR), structural (X-ray), electronic (DFT) and experimental (reactivity) parameters was collected to quantify the variation in stereoelectronic properties of these new and previously reported [Au(IPr)(CHR2)] complexes. Variation of the R substituents on the carbanion ligands (CHR2-) was found to have a crucial impact on parameters characterising the resulting gold complexes. A regression analysis of both experimental and modelled parameters, guided by network analysis techniques, produced linear models that supported trends within the [Au(IPr)(CHR2)] complexes.
    Citation
    Veenboer RMP, Azofra LM, Gasperini D, Collado A, Cordes DB, et al. (2019) Regression analysis of properties of [Au(IPr)(CHR2)] complexes. Dalton Transactions. Available: http://dx.doi.org/10.1039/c9dt00841a.
    Sponsors
    The European Research Council (ERC) and the Engineering and Physical Sciences Research Council (EPSRC), UK, are gratefully acknowledged for their support. Umicore AG is thanked for generous donations of auric acid. L. C., and S. P. N. thank the King Abdullah University of Science and Technology (KAUST) and King Saud University (KSU) for support. We also thank the KAUST Supercomputing Laboratory housing the Shaheen II supercomputer for providing the computational resources. Dr Liam Ball is thanked for his help with the kinetics data analysis. L. M. A. is an ULPGC Postdoc Fellow, and thanks Universidad de Las Palmas de Gran Canaria (ULPGC).
    Publisher
    Royal Society of Chemistry (RSC)
    Journal
    Dalton Transactions
    DOI
    10.1039/c9dt00841a
    Additional Links
    https://pubs.rsc.org/en/content/articlelanding/2019/DT/C9DT00841A#!divAbstract
    Relations
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    ae974a485f413a2113503eed53cd6c53
    10.1039/c9dt00841a
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

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