Selective oxidation of methane to methanol catalyzed, with C-H activation, by homogeneous, cationic gold

C. J. Jones; Doug Taube; Vadim R. Ziatdinov; Roy A. Periana; Robert J. Nielsen; Jonas Oxgaard; William A. Goddard

doi:10.1002/anie.200461055

Selective oxidation of methane to methanol catalyzed, with C-H activation, by homogeneous, cationic gold

C. J. Jones
, Doug Taube
, Vadim R. Ziatdinov
, Roy A. Periana
, Robert J. Nielsen
, Jonas Oxgaard
, William A. Goddard

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

Abstract

Cationic gold catalyzes the title reaction in strong acid solvents with Se^VI as the stoichiometric oxidant. At 180°C and 27 bar of CH₄ turnover numbers of about 30 and methanol concentrations of 0.6 M have been observed with selectivities >90%. DFT calculations indicate that cationic Au^I and Au^III are both viable catalysts that operate by electrophilic C-H activation and oxidative functionalization (see picture).

Original language	English
Pages (from-to)	4626-4629
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	43
Issue number	35
DOIs	https://doi.org/10.1002/anie.200461055
Publication status	Published - 6 Sept 2004
Externally published	Yes

Keywords

C-H activation
Gold
Homogeneous catalysis
Methane
Oxidation

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10.1002/anie.200461055

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title = "Selective oxidation of methane to methanol catalyzed, with C-H activation, by homogeneous, cationic gold",

abstract = "Cationic gold catalyzes the title reaction in strong acid solvents with SeVI as the stoichiometric oxidant. At 180°C and 27 bar of CH4 turnover numbers of about 30 and methanol concentrations of 0.6 M have been observed with selectivities >90\%. DFT calculations indicate that cationic AuI and AuIII are both viable catalysts that operate by electrophilic C-H activation and oxidative functionalization (see picture).",

keywords = "C-H activation, Gold, Homogeneous catalysis, Methane, Oxidation",

author = "Jones, \{C. J.\} and Doug Taube and Ziatdinov, \{Vadim R.\} and Periana, \{Roy A.\} and Nielsen, \{Robert J.\} and Jonas Oxgaard and Goddard, \{William A.\}",

year = "2004",

month = sep,

day = "6",

doi = "10.1002/anie.200461055",

language = "English",

volume = "43",

pages = "4626--4629",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

number = "35",

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TY - JOUR

T1 - Selective oxidation of methane to methanol catalyzed, with C-H activation, by homogeneous, cationic gold

AU - Jones, C. J.

AU - Taube, Doug

AU - Ziatdinov, Vadim R.

AU - Periana, Roy A.

AU - Nielsen, Robert J.

AU - Oxgaard, Jonas

AU - Goddard, William A.

PY - 2004/9/6

Y1 - 2004/9/6

N2 - Cationic gold catalyzes the title reaction in strong acid solvents with SeVI as the stoichiometric oxidant. At 180°C and 27 bar of CH4 turnover numbers of about 30 and methanol concentrations of 0.6 M have been observed with selectivities >90%. DFT calculations indicate that cationic AuI and AuIII are both viable catalysts that operate by electrophilic C-H activation and oxidative functionalization (see picture).

AB - Cationic gold catalyzes the title reaction in strong acid solvents with SeVI as the stoichiometric oxidant. At 180°C and 27 bar of CH4 turnover numbers of about 30 and methanol concentrations of 0.6 M have been observed with selectivities >90%. DFT calculations indicate that cationic AuI and AuIII are both viable catalysts that operate by electrophilic C-H activation and oxidative functionalization (see picture).

KW - C-H activation

KW - Gold

KW - Homogeneous catalysis

KW - Methane

KW - Oxidation

UR - https://www.scopus.com/pages/publications/5444224904

U2 - 10.1002/anie.200461055

DO - 10.1002/anie.200461055

M3 - Article

AN - SCOPUS:5444224904

SN - 1433-7851

VL - 43

SP - 4626

EP - 4629

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 35

ER -

Selective oxidation of methane to methanol catalyzed, with C-H activation, by homogeneous, cationic gold

Abstract

Keywords

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