The mechanism by which ionic liquids enable Shilov-type CH activation in an oxidizing medium

Zhitao Xu; Jonas Oxgaard; William Goddard

doi:10.1021/om800274f

The mechanism by which ionic liquids enable Shilov-type CH activation in an oxidizing medium

Zhitao Xu
, Jonas Oxgaard
, William Goddard

California Institute of Technology

Research output: Contribution to journal › Article › peer-review

Abstract

Quantum mechanical studies on methane CH activation catalyzed by PtCl ₂ in concentrated H₂SO₄ 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 H₂SO₄. Other possible mechanisms have been investigated and discarded.

Original language	English
Pages (from-to)	3770-3773
Number of pages	4
Journal	Organometallics
Volume	27
Issue number	15
DOIs	https://doi.org/10.1021/om800274f
Publication status	Published - 11 Aug 2008
Externally published	Yes

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title = "The mechanism by which ionic liquids enable Shilov-type CH activation in an oxidizing medium",

abstract = "Quantum mechanical studies on methane CH activation catalyzed by PtCl 2 in concentrated H2SO4 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 H2SO4. Other possible mechanisms have been investigated and discarded.",

author = "Zhitao Xu and Jonas Oxgaard and William Goddard",

year = "2008",

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doi = "10.1021/om800274f",

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AU - Xu, Zhitao

AU - Oxgaard, Jonas

AU - Goddard, William

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Y1 - 2008/8/11

N2 - Quantum mechanical studies on methane CH activation catalyzed by PtCl 2 in concentrated H2SO4 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 H2SO4. Other possible mechanisms have been investigated and discarded.

AB - Quantum mechanical studies on methane CH activation catalyzed by PtCl 2 in concentrated H2SO4 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 H2SO4. Other possible mechanisms have been investigated and discarded.

UR - https://www.scopus.com/pages/publications/50549105132

U2 - 10.1021/om800274f

DO - 10.1021/om800274f

M3 - Article

AN - SCOPUS:50549105132

SN - 0276-7333

VL - 27

SP - 3770

EP - 3773

JO - Organometallics

JF - Organometallics

IS - 15

ER -

The mechanism by which ionic liquids enable Shilov-type CH activation in an oxidizing medium

Abstract

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