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Issue 10, 2011
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Reactivity of stoichiometric titanium oxide cations

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We present the results of a reactivity study of titanium cationic clusters towards CO, C2H2, C2H4 and C3H6 based on guided-ion-beam mass spectrometry and DFT calculations. We identified Ti2O4+ and to a lesser extent TiO2+ species which preferentially undergo oxidation reactions. An oxygen centered radical of Ti2O4+ is responsible for selective oxidation. Energy profiles and MD simulations reveal the mechanisms of the reactions. Regeneration of the oxygen centered radical was achieved experimentally and theoretically through the reaction of N2O with Ti2O3+.

Graphical abstract: Reactivity of stoichiometric titanium oxide cations

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The article was received on 14 Oct 2010, accepted on 22 Dec 2010 and first published on 13 Jan 2011

Article type: Paper
DOI: 10.1039/C0CP02170A
Citation: Phys. Chem. Chem. Phys., 2011,13, 4243-4249

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    Reactivity of stoichiometric titanium oxide cations

    E. C. Tyo, M. Nőβler, R. Mitrić, V. Bonačić-Koutecký and A. W. Castleman Jr., Phys. Chem. Chem. Phys., 2011, 13, 4243
    DOI: 10.1039/C0CP02170A

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