Original scientific paper

The Formation of [TiO(H₂O)_n]+ Cluster Ions

Haiteng Deng ; Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA
Kevin P. Kerns ; Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA
Baochuan Guo ; Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA
Richard C. Bell ; Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA
A. Welford Castleman, Jr. ; Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA

Abstract

Gas phase [TiO(H₂O)_n]+ clusters are produced by laser induced plasma reactions of titanium and water, and studied using a triple quadrupole mass spectrometer. More than 60 water molecules cluster onto TiO+; but, no [Ti(H₂O)_n]+ clusters are observed. The cluster size distributions of [TiO(H₂O)_n]+ can be fit to log-normal curves. Considered in the context of other data reported herein for cluster distributions of [NbO(H₂O)_n]+, it is concluded that the cluster formation and growth proceed via a coalescence mechanism between [TiO(H₂O)_n]+ and water molecule(s), which may lead to the formation of solvation shells. Ab initio calculations were employed to gain insight into the structures and energetics of small [TiO(H₂O)_n]+ clusters with n = 1–3. A charge donation from the water ligand to the TiO+ ion is found, which indicates the existence of high binding energies between water and TiO+. These experimental and theoretical results further contribute to an understanding of ion-induced nucleation in general, and hydration of TiO+, in particular.

Keywords

Hrčak ID:

132441

URI

https://hrcak.srce.hr/132441

Publication date:

1.12.1998.

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