Thermal Activation of Methane by [HfO] .+  and [XHfO] +  (X=F, Cl, Br, I) and the Origin of a Remarkable Ligand Effect | Zendy

Zhou Shaodong | Zendy; Li Jilai | Zendy; Schlangen Maria | Zendy; Schwarz Helmut | Zendy

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Thermal Activation of Methane by [HfO] .+ and [XHfO] + (X=F, Cl, Br, I) and the Origin of a Remarkable Ligand Effect

Author(s) -

Zhou Shaodong,

Li Jilai,

Schlangen Maria,

Schwarz Helmut

Publication year - 2016

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201602312

Subject(s) - methane , ligand (biochemistry) , chemistry , oxide , ion , mass spectrometry , inorganic chemistry , quantum chemical , analytical chemistry (journal) , crystallography , molecule , organic chemistry , biochemistry , receptor , chromatography

The thermal reactions of methane with [HfO] .+ and [XHfO] + (X=F, Cl, Br, I) were investigated by using FT‐ICR mass spectrometry complemented by high‐level quantum chemical calculations. Surprisingly, in contrast to the inertness of [HfO] .+ towards methane, the closed‐shell oxide ions [XHfO] + (X=F, Cl, Br) activate the H 3 C−H bond to form the insertion products [Hf(X)(OH)(CH 3 )] + . The possible origin of this remarkable ligand effect is discussed.

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