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Title:Iodine: many electrons and much to discuss...THE Nuclear quadrupole coupling, nuclear spin-rotation, conformational analysis, and structural determination of 2-Iodobutane
Author(s):Arsenault, Eric A.
Contributor(s):Novick, Stewart E.; Blake, Thomas A.; Cooke, S. A.; Obenchain, Daniel A.; Choi, Yoon Jeong
Subject(s):(Hyper)fine structure, tunneling
Abstract:The rotational spectrum of 2-iodobutane (sec-butyl-iodide) has been collected from 5.5-16.5 GHz using jet-pulsed Fourier transform microwave spectroscopy on both broadband\footnote{Brown, G. G.
Dian, B. C.
Douglass, K. O.
Geyer, S. M.
Shipman, S. T.
Pate, B. H. \textit{Review of Scientific Instruments} \textbf{2008}, \textit{79}, 053103.} and Balle-Flygare cavity\footnote{Balle, T.
Flygare, W. \textit{Review of Scientific Instruments} \textbf{1981}, \textit{52}, 33-45.} instruments. Transitions belonging to three unique conformers were observed, namley the gauche-, anti-, and gauche$'$- species. All four $^{13}$\chem{C} isotopologues of the gauche-2-iodobutane were observed. The complete nuclear quadrupole coupling tensor of iodine has been determined for all conformers and $^{13}$\chem{C} isotopologues. A comparison between these nuclear quadrupole coupling tensors and those of similar iodine-containing molecules will be presented. Changes in the quadrupole coupling of iodine upon isotopic substitution will also be discussed. Additionally, isotopic substitution in conjunction with \textit{ab initio} calculations allowed for both an $r_s$ and $r_0$ structural analysis of gauche-2-iodobutane.
Issue Date:2016-06-22
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper/Presentation
Rights Information:Copyright 2016 by the authors
Date Available in IDEALS:2017-01-26

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