Insights into the decomposition of olefin metathesis precatalysts
Type
ArticleAuthors
Manzini, SimonePoater, Albert
Nelson, David J.
Cavallo, Luigi
Slawin, Alexandra M. Z.
Nolan, Steven P.
KAUST Department
KAUST Catalysis Center (KCC)Physical Sciences and Engineering (PSE) Division
Chemical Science Program
Date
2014-06-02Metadata
Show full item recordAbstract
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-BlackwellISSN
14337851Handle URI
http://hdl.handle.net/10754/563587Is Supplemented By
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/cc12bf94DOI:10.5517/cc12bf94
HANDLE:http://hdl.handle.net/10754/624310