Published August 11, 2008
| Supplemental Material
Journal Article
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The Mechanism by Which Ionic Liquids Enable Shilov-Type CH Activation in an Oxidizing Medium
- Creators
- Xu, Zhitao
- Oxgaard, Jonas
-
Goddard, William
Chicago
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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.
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.Attached Files
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Additional details
- Eprint ID
- 74908
- DOI
- 10.1021/om800274f
- Resolver ID
- CaltechAUTHORS:20170308-131108075
- Department of Energy (DOE)
- DE-PS36-03GO93015
- Army Research Office (ARO)
- Office of Naval Research (ONR)
- Created
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2017-03-08Created from EPrint's datestamp field
- Updated
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2021-11-15Created from EPrint's last_modified field