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, Roy A. Periana
2006J. Am. Chem. Soc., 128(23), 7404-740571cited
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.
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Ziatdinov, V. R., Oxgaard, J., Mironov, O. A., Young, K. J. H., III, W. A. G., & Periana, R. A. (2006). Carboxylic Solvents and O-Donor Ligand Effects on CH Activation by Pt(II). *J. Am. Chem. Soc.*, *128*(23), 7404-7405. https://doi.org/10.1021/ja060973k