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Published July 5, 2006 | Supplemental Material
Journal Article Open

Model Compounds of Ruthenium−Alkene Intermediates in Olefin Metathesis Reactions


The development of a model system to study ruthenium−olefin complexes relevant to the mechanism of olefin metathesis is reported. Upon addition of 1,2-divinylbenzene to (H_2IMes)(py_2)(Cl)_2Ru CHPh (H_2IMes = 1,3-dimesityl-4,5-dihydroimidazol-2-ylidene), two ruthenium−olefin adducts are formed. On the basis of ^1H NMR spectroscopy experiments and X-ray crystallographic analysis, these complexes are assigned as side-bound isomers in which the olefin and H_2IMes ligands are coordinated cis to each other. The dynamic interconversion of these two ruthenium complexes was determined to have a barrier of 19.1 ± 0.1 kcal/mol.

Additional Information

© 2006 American Chemical Society. Received March 15, 2006. The authors thank Lawrence M. Henling and Dr. Michael W. Day for X-ray crystallography data, John Keith for invaluable assistance with theoretical calculations, and Materia, Inc. for generous donation of complex 2. D.R.A. was supported by NDSEG and NSF predoctoral fellowships. D.J.O. thanks the Mellon Foundation for financial support. This research was also supported by the National Science Foundation.

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Supplemental Material - ja0618090si20060511_052029.pdf


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