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J Am Chem Soc. 2009 Dec 02;131(47):17110-5. doi: 10.1021/ja903930e.

Product protection, the key to developing high performance methane selective oxidation catalysts.

Journal of the American Chemical Society

Mårten Ahlquist, Robert J Nielsen, Roy A Periana, William A Goddard

Affiliations

  1. Materials and Process Simulation Center (MC 139-74), California Institute of Technology, Pasadena, California 91125, USA.

PMID: 19891471 DOI: 10.1021/ja903930e

Abstract

Selective, direct conversion of methane to methanol might seem an impossible task since the C-H bond energy of methane is 105 kcal mol(-1) compared to the C-H bond energy for methanol of 94. We show here that the Catalytica catalyst is successful because the methanol is protected as methyl bisulfate, which is substantially less reactive than methanol toward the catalyst. This analysis suggests a limiting performance for systems that operate by this type of protection that is well above the Catalytica system.

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