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- W1966453916 abstract "Single gold-atom doped niobium oxide cluster AuNbO3+ has been prepared and mass-selected to react with C2H6 in an ion trap reactor under thermal collision conditions. The reaction has been characterized by mass spectrometry with isotopic substitution (C2H6 -> CH3CD3 and C2D6) and density functional theory calculations. In addition to hydrogen atom abstraction channels identified in a previous fast-flow reactor experiment, a rather unexpected channel of generating the free H atom was observed. The computational study revealed that the gold atom plays an important role in the reaction and the conversion of one Au-O bond to one Au-Nb bond drives the generation of the free H atom. This study enriches the chemistry of gold atoms doped in atomic clusters and provides an ideal model reaction to generate the free H atom that can be a very important intermediate in hydrocarbon transformation. (C) 2015 Elsevier B.V. All rights reserved." @default.
- W1966453916 created "2016-06-24" @default.
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- W1966453916 date "2015-05-01" @default.
- W1966453916 modified "2023-10-18" @default.
- W1966453916 title "Generation of free hydrogen atoms in thermal reaction of ethane with AuNbO 3 + cluster cations" @default.
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- W1966453916 doi "https://doi.org/10.1016/j.ijms.2015.02.001" @default.
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