Xu, Zhitao and Oxgaard, Jonas and Goddard, William (2008) The Mechanism by Which Ionic Liquids Enable Shilov-Type CH Activation in an Oxidizing Medium. Organometallics, 27 (15). pp. 3770-3773. ISSN 0276-7333. doi:10.1021/om800274f. https://resolver.caltech.edu/CaltechAUTHORS:20170308-131108075
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Abstract
Quantum mechanical studies on methane CH activation catalyzed by PtCl_2 in concentrated H_2SO_4 and ionic liquid solution show that the effect of the ionic liquid is to enable Shilov-like chemistry in an oxidizing medium, by solvating the otherwise insoluble PtCl_2(s) in H_2SO_4. Other possible mechanisms have been investigated and discarded.
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Additional Information: | © 2008 American Chemical Society. Received 27 March 2008. Published online 16 July 2008. Published in print 1 August 2008. We thank Dr. Yongchun Tang and J. H. Cheng for helpful discussions. This research was supported by the DOE (DE-PS36-03GO93015, William Prymak). In addition, the computational resources were provided by ARO-DURIP and ONR-DURIP. | ||||||||||||
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Issue or Number: | 15 | ||||||||||||
DOI: | 10.1021/om800274f | ||||||||||||
Record Number: | CaltechAUTHORS:20170308-131108075 | ||||||||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20170308-131108075 | ||||||||||||
Official Citation: | The Mechanism by Which Ionic Liquids Enable Shilov-Type CH Activation in an Oxidizing Medium Zhitao Xu, Jonas Oxgaard, and William Goddard Organometallics 2008 27 (15), 3770-3773 DOI: 10.1021/om800274f | ||||||||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||
ID Code: | 74908 | ||||||||||||
Collection: | CaltechAUTHORS | ||||||||||||
Deposited By: | Ruth Sustaita | ||||||||||||
Deposited On: | 08 Mar 2017 21:51 | ||||||||||||
Last Modified: | 15 Nov 2021 16:29 |
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