The Mechanism by Which Ionic Liquids Enable Shilov-Type CH Activation in an Oxidizing Medium

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.

Item Type:

Article

Related URLs:

URL	URL Type	Description
http://dx.doi.org/10.1021/om800274f	DOI	Article
http://pubs.acs.org/doi/full/10.1021/om800274f	Publisher	Article
http://pubs.acs.org/doi/suppl/10.1021/om800274f	Related Item	Supporting Information

ORCID:

Author	ORCID
Goddard, William	0000-0003-0097-5716

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.

Funders:

Funding Agency	Grant Number
Department of Energy (DOE)	DE-PS36-03GO93015
Army Research Office (ARO)	UNSPECIFIED
Office of Naval Research (ONR)	UNSPECIFIED

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DOI:

10.1021/om800274f

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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

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ID Code:

74908

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CaltechAUTHORS

Deposited By:

Ruth Sustaita

Deposited On:

08 Mar 2017 21:51

Last Modified:

15 Nov 2021 16:29

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