Asymmetry of M+(H2O)RG complexes, (M=V, Nb) revealed with infrared spectroscopy

Ward, Timothy B.

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https://hdl.handle.net/2142/79365 Copy

Description

Title

Asymmetry of M+(H2O)RG complexes, (M=V, Nb) revealed with infrared spectroscopy

Author(s)

Ward, Timothy B.

Contributor(s)

• Duncan, Michael A.
• Xantheas, Sotiris
• Miliordos, Evangelos

Issue Date

25-Jun-15

Keyword(s)

Vibrational structure/frequencies

Abstract

M$^{+}$(H$_{2}$O)Ar and M$^{+}$(H$_{2}$O)Ne clusters (M=V, Nb) were produced in a laser vaporization/pulsed nozzle source. The clusters were then mass selected in a time-of-flight mass spectrometer and studied with infrared photodissociation spectroscopy in the OH stretching region. Spectra showed two bands, with the asymmetric band showing k-type rotational structure. Previous work has shown that most metal-water rare gas-tagged systems adopt C$_{2v}$ geometry and exhibit the well-known 3:1 ortho:para ratio in the k-type rotational structure in asymmetric stretch band. However these two metals display a pattern that indicates a breaking of the C$_{2v}$ symmetry. Computational work confirms the breaking of C$_{2v}$ symmetry giving an Ar-M$^{+}$-O angle of 163.7 degrees for V and 172.1 degrees for Nb. In the ground state we obtain rotational constants that match up well with obtained spectra using 166 degrees for V and 175 degrees for Nb.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79365

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