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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
Subject(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.
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/96872
DOI:10.15278/isms.2017.TC10
Date Available in IDEALS:2017-07-27


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