Insights into the decomposition of olefin metathesis precatalysts
Nelson, David J.
Slawin, Alexandra M. Z.
Nolan, Steven P.
KAUST DepartmentKAUST Catalysis Center (KCC)
Physical Sciences and Engineering (PSE) Division
Chemical Science Program
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AbstractThe 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.
SponsorsResearch 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.
Is Supplemented ByManzini, 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