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Published June 22, 2015 | public
Journal Article Open

Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups


In order to design improved ruthenium catalysts for Z-selective olefin metathesis reactions, four cyclometalated catalysts with new chelated architectures were synthesized, structurally characterized, and tested in metathesis assays. The mechanism of formation of each was explored using DFT calculations. Of note, two complexes are derived from activation of a tertiary C–H bond, and one features a four-membered chelating architecture. In addition, two dipivalate complexes that did not undergo further C–H activation were isolated and studied to elucidate information about the factors affecting cyclometalation.

Additional Information

© 2015 American Chemical Society. Received: March 5, 2015. Publication Date (Web): June 2, 2015. Dr. David Vander Velde is thanked for his assistance with NMR characterization and experiments. Lawrence Henling and Dr. Michael K. Takase are acknowledged for X-ray crystallographic analysis. This work was financially supported by the NIH (NIH 5R01GM031332, R.H.G.) and the NSF (CHE-1212767, R.H.G. and CHE-1361104, K.N.H.). The Bruker KAPPA APEXII X-ray diffractometer was purchased via an NSF CRIF:MU award to the California Institute of Technology (CHE-0639094). Materia, Inc. is acknowledged for its generous donation of metathesis catalysts. Calculations were performed on the Hoffman2 cluster at UCLA and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation (OCI-1053575).

Attached Files

Supplemental Material - om5b00185_si_001.pdf

Supplemental Material - om5b00185_si_002.xyz

Supplemental Material - om5b00185_si_003.cif


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August 20, 2023
August 20, 2023