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Thermal Activation of Methane by Diatomic Metal Oxide Radical Cations: PbO +⋅ as One of the Missing Pieces
Author(s) -
Zhang Xinhao,
Schwarz Helmut
Publication year - 2010
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201000259
Subject(s) - methane , oxide , chemistry , metal , hydrogen , hydrogen atom , inorganic chemistry , diatomic molecule , carbon monoxide , monoxide , photochemistry , oxygen , radical , group (periodic table) , catalysis , organic chemistry , molecule
Missing in action: Based on the high computed hydrogen atom affinities and the oxygen‐centered radical characters, group IVA metal monoxide radical cations are predicted to be the missing pieces in the thermal activation of methane, and combined experimental and computational studies show that the group IVA metal oxide PbO +⋅ is indeed capable of abstracting a hydrogen atom from methane at room temperature.