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Title:(CH3)3N···AgI and H3N···AgI studied by broadband rotational spectroscopy and ab initio calculations
Author(s):Bittner, Dror M.
Contributor(s):Legon, Anthony; Walker, Nick; Stephens, Susanna L.; Zaleski, Daniel P.
Subject(s):Metal containing
Abstract:The pure rotational spectra of 8 isotopologues of H$_{3}$N$cdot$$cdot$$cdot$AgI and 6 isotopologues of (C{H$_{3}$})$_{3}$N$cdot$$cdot$$cdot$AgI were measured in a chirped pulse Fourier-transform microwave spectrometer. The complexes were synthesized in a molecular beam from a gas sample containing H$_{3}$N or (C{H$_{3}$})$_{3}$N and CF$_{3}$I precursors diluted in argon. Laser ablation was used to introduce silver atoms to the gas phase. The rotational constant textit{B}$_{0}$, centrifugal distortion constants textit{D}$_{J}$ and textit{D}$_{JK}$, and the nuclear quadrupole coupling constant $chi$$_{aa}$(I) have been determined for (C{H$_{3}$})$_{3}$$^{14/15}$N$cdot$$cdot$$cdot$$^{107/109}$AgI, (C{D$_{3}$})$_{3}$N$cdot$$cdot$$cdot$$^{107/109}$AgI, H$_{3}$$^{14/15}$N$cdot$$cdot$$cdot$$^{107/109}$AgI and D$_{3}$N$cdot$$cdot$$cdot$$^{107/109}$AgI by fitting the measured transitions to a symmetric top Hamiltonian. The spectroscopic constants (textit{B}$_{0}$+ textit{C}$_{0}$), $Delta$$_{J}$ and $chi$$_{aa}$(I) have been determined for D$_{2}$HN$cdot$$cdot$$cdot$$^{107/109}$AgI through fits that employed a Hamiltonian appropriate for a very near prolate asymmetric rotor. Partial effective (textit{r}$_{0}$) and substitution (textit{r}$_{s}$) structures have been determined.
Issue Date:25-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79072
Date Available in IDEALS:2016-01-05


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