Issue 10, 2011
From the journal:

Physical Chemistry Chemical Physics

Reactivity of stoichiometric titanium oxide cations†

Eric C. Tyo,a   Melanie Nőβler,b   Roland Mitrić,c   Vlasta Bonačić-Kouteckýbd  and  A. W. Castleman Jr.a  

a Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA, USA
E-mail: awc@psu.edu, vbk@chemie.hu-berlin.de

b Department of Chemistry, Humboldt-University Berlin, Brook-Taylor-Str. 2, 12489 Berlin, Germany

c Department of Physics, Free University Berlin, Arnimallee 14, 14195 Berlin, Germany

d Interdisciplinary Center for Advanced Sciences and Technology (ICAST), University of Split, Meštrovićevo, Šetalište bb., 2100 Split, Croatia

Abstract

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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Article information

DOI
https://doi.org/10.1039/C0CP02170A
Article type
Paper
Submitted
14 Oct 2010
Accepted
22 Dec 2010
First published
13 Jan 2011

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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