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

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

Research output: Contribution to journalArticle

6 Citations (Scopus)

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.

Original languageEnglish (US)
Pages (from-to)1105-1116
Number of pages12
JournalCroatica Chemica Acta
Volume71
Issue number4
StatePublished - Dec 1 1998

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Ions
Water
Molecules
Solvation
Mass spectrometers
Titanium
Binding energy
Coalescence
Hydration
Nucleation
Gases
Ligands
Plasmas
Lasers

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Deng, H., Kerns, K. P., Guo, B., Bell, R. C., & Castleman, A. W. (1998). The Formation of [TiO(H2O)n]+ Cluster Ions. Croatica Chemica Acta, 71(4), 1105-1116.
Deng, Haiteng ; Kerns, Kevin P. ; Guo, Baochuan ; Bell, Richard Curtis ; Castleman, A. Welford. / The Formation of [TiO(H2O)n]+ Cluster Ions. In: Croatica Chemica Acta. 1998 ; Vol. 71, No. 4. pp. 1105-1116.
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Deng, H, Kerns, KP, Guo, B, Bell, RC & Castleman, AW 1998, 'The Formation of [TiO(H2O)n]+ Cluster Ions', Croatica Chemica Acta, vol. 71, no. 4, pp. 1105-1116.

The Formation of [TiO(H2O)n]+ Cluster Ions. / Deng, Haiteng; Kerns, Kevin P.; Guo, Baochuan; Bell, Richard Curtis; Castleman, A. Welford.

In: Croatica Chemica Acta, Vol. 71, No. 4, 01.12.1998, p. 1105-1116.

Research output: Contribution to journalArticle

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N2 - 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.

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Deng H, Kerns KP, Guo B, Bell RC, Castleman AW. The Formation of [TiO(H2O)n]+ Cluster Ions. Croatica Chemica Acta. 1998 Dec 1;71(4):1105-1116.