Microwave spectra of Ar···AgI and H2O···AgI produced by laser ablation

Mullaney, John C.

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https://hdl.handle.net/2142/96872 Copy

Description

Title

Microwave spectra of Ar···AgI and H2O···AgI produced by laser ablation

Author(s)

Mullaney, John C.

Contributor(s)

• Legon, Anthony
• Walker, Nick
• Medcraft, Chris

Issue Date

2017-06-20

Keyword(s)

Structure determination

Abstract

Complexes of argon and water with silver iodide have been formed in the gas phase by laser ablation of a silver iodide rod and studied using a chirped-pulse Fourier transform microwave spectrometer. Ar$cdot$$cdot$$cdot$AgI was characterized by its rotational spectrum and textit{ab initio} calculations carried out at the CCSD(T)(F12c)/cc-pVTZ-F12 explicitly correlated level of theory. The molecule was shown to be linear in the ground state, with atoms in the order shown. The Ar$cdot$$cdot$$cdot$Ag and Ag-I bond lengths, r$_{0}$(Ar$cdot$$cdot$$cdot$Ag) = 2.6759 AA{} and r$_{0}$(Ag-I) = 2.5356 AA, were determined. Other factors such as the dissociation energy, the intermolecular quadratic stretching force constant and the change in ionicity of AgI upon forming the complex were also determined and will be discussed with comparison to the series Ar$cdot$$cdot$$cdot$AgX (X = F, Cl, Br and I). Data of the H$_{2}$O$cdot$$cdot$$cdot$AgI complex will also be presented with isotopic studies ongoing.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/96872

DOI

https://doi.org/10.15278/isms.2017.TC10

Copyright and License Information

Copyright 2017 John C. Mullaney

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