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Carboxylic Solvents and O-Donor Ligand Effects on CH Activation by Pt(II)

Ziatdinov, Vadim R. and Oxgaard, Jonas and Mironov, Oleg A. and Young, Kenneth J. H. and Goddard, William A., III and Periana, Roy A. (2006) Carboxylic Solvents and O-Donor Ligand Effects on CH Activation by Pt(II). Journal of the American Chemical Society, 128 (23). pp. 7404-7405. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20170512-144735227

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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.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/ja060973kDOIArticle
http://pubs.acs.org/doi/abs/10.1021/ja060973kPublisherArticle
http://pubs.acs.org/doi/suppl/10.1021/ja060973kPublisherSupporting Information
ORCID:
AuthorORCID
Mironov, Oleg A.0000-0002-9787-944X
Goddard, William A., III0000-0003-0097-5716
Periana, Roy A.0000-0001-7838-257X
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.
Funders:
Funding AgencyGrant Number
NSFCHE-0328121
Chevron Energy Technology CompanyUNSPECIFIED
Issue or Number:23
Record Number:CaltechAUTHORS:20170512-144735227
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20170512-144735227
Official Citation:Carboxylic Solvents and O-Donor Ligand Effects on CH Activation by Pt(II) Vadim R. Ziatdinov, Jonas Oxgaard, Oleg A. Mironov, Kenneth J. H. Young, William A. Goddard III, and Roy A. Periana Journal of the American Chemical Society 2006 128 (23), 7404-7405 DOI: 10.1021/ja060973k
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:77427
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:12 May 2017 23:59
Last Modified:03 Oct 2019 17:57

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