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

Haiteng Deng, Kevin P. Kerns, Baochuan Guo, Richard Curtis Bell, A. Welford Castleman

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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.

Original languageEnglish (US)
Pages (from-to)1105-1116
Number of pages12
JournalCroatica Chemica Acta
Issue number4
StatePublished - Dec 1 1998

All Science Journal Classification (ASJC) codes

  • General Chemistry


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