Abstract
The spin density of AlVO 4 + clusters is localized on one terminal O atom bonded with Al rather than V atom. This cluster can abstract one H-atom from CH 4 at room temperature. Gas-phase room-temperature methane activation by various clusters draws increasing attention. In this Letter, we produce a series of bimetallic oxide clusters which contain both main-group metal aluminum atoms and transition-metal vanadium atoms. We provide solid experimental and theoretical evidence that bimetallic AlVO 4 + cluster can draw a hydrogen atom from methane to produce CH 3 at room temperature. The Al 3 VO 7 + cluster which can be considered as a system formed from Al 2 O 3 + AlVO 4 + does not break C–H bonds of methane. The results enrich the chemistry of gas phase methane activation and provide possible molecular level mechanism to couple with heterogeneous catalysis.
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