Published June 14, 2006
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Journal Article
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Carboxylic Solvents and O-Donor Ligand Effects on CH Activation by Pt(II)
Abstract
We report on the design of more efficient C−H activation catalysts based on DFT calculations. The first examples of well-defined, N,O-donor ligated platinum complexes that are competent for fast C−H activation are detailed. These complexes exhibit thermal and protic stability and are efficient catalysts for H/D exchange reactions with benzene. The C−H activation is shown to benefit from design elements that (A) reduce the barrier for substrate coordination and (B) retain a low barrier for CH cleavage via a novel six-membered transition state involving the carboxylate group of the solvent.
Additional Information
© 2006 American Chemical Society. Received 9 February 2006. Published online 17 May 2006. Published in print 1 June 2006. We thank Dr. W. L. Schinski and Dr. A Kuperman for helpful discussion. We thank the National Science Foundation (CHE-0328121) and Chevron Energy Research & Technology Company for financial support for this research.Attached Files
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Additional details
- Eprint ID
- 77427
- Resolver ID
- CaltechAUTHORS:20170512-144735227
- CHE-0328121
- NSF
- Chevron Energy Technology Company
- Created
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2017-05-12Created from EPrint's datestamp field
- Updated
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2021-11-15Created from EPrint's last_modified field