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    Insights into the decomposition of olefin metathesis precatalysts

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    Type
    Article
    Authors
    Manzini, Simone
    Poater, Albert cc
    Nelson, David J. cc
    Cavallo, Luigi cc
    Slawin, Alexandra M. Z.
    Nolan, Steven P. cc
    KAUST Department
    Chemical Science Program
    KAUST Catalysis Center (KCC)
    Physical Science and Engineering (PSE) Division
    Date
    2014-06-02
    Online Publication Date
    2014-06-02
    Print Publication Date
    2014-08-18
    Permanent link to this record
    http://hdl.handle.net/10754/563587
    
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    Abstract
    The decomposition of a series of benzylidene, methylidene, and 3-phenylindenylidene complexes has been probed in alcohol solution in the presence of base. Tricyclohexylphosphane-containing precatalysts are shown to yield [RuCl(H)(H2)(PCy3)2] in isopropyl alcohol solutions, while 3-phenylindenylidene complexes lead to η5-(3- phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
    Sponsors
    Research leading to these results has received funding from the EU Seventh Framework Programme (FP7/2007-2013) under grant agreement noCP-FP 211468-2 EUMET. S.P.N. thanks the ERC for an Advanced Investigator Award "FUNCAT" and KAUST for support. S.P.N. is a Royal Society Wolfson Research Merit Award holder. L.C. thanks the HPC team of Enea for using the ENEA-GRID and the HPC facilities CRESCO in Portici (Italy) for access to remarkable computational resources. A.P. thanks the Spanish MINECO for a Ramon y Cajal contract (RYC-2009-05226) and European Commission for a Career Integration Grant (CIG09-GA-2011-293900). We thank Umicore for gifts of materials and ligands.
    Publisher
    Wiley
    Journal
    Angewandte Chemie International Edition
    DOI
    10.1002/anie.201403770
    Relations
    Is Supplemented By:
    • [Dataset]
      Manzini, S., Poater, A., Nelson, D. J., Cavallo, L., Slawin, A. M. Z., & Nolan, S. P. (2014). CCDC 993125: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/cc12bf94. DOI: 10.5517/cc12bf94 HANDLE: 10754/624310
    ae974a485f413a2113503eed53cd6c53
    10.1002/anie.201403770
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

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