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Title:The Combined Ortho / Para Hydrogen Assignments In H2 Metal Chlorides
Author(s):Obenchain, Daniel A.
Contributor(s):Novick, Stewart E.; Pickett, Herbert M.; Frank, Derek S.; Grubbs II, G.S.
Subject(s):Structure determination
Abstract:%\begin{wrapfigure}{r}{0pt} %\includegraphics[scale=0.40]{for_columbus_p_69_3.eps} %\end{wrapfigure} The rotational spectra of H$_2$-AgCl and H$_2$-AuCl have been measured using a cavity FTMW spectrometer equipped with a laser ablation source. A combination of isotopic substitution, including HD and D$_2$ substitutions, and the spin-spin interaction of \textit{ortho} hydrogen were used to determine the structures of these species. Trends in these structures and the strengths of the H$_2$ interaction will be discussed. Previous work with hydrogen containing complexes have shown that separate spectra are observed for the both the \textit{ortho} and \textit{para} hydrogen species.\footnote{Y. Zhenhong, K. J. Higgins, W. Klemperer, M. C. McCarthy and P. Thaddeus, \textit{J. Chem. Phys.}, \textbf{123}(2005) 221106.}$^{;}$\footnote{J. M. Michaug, W. C. Topic, W. J\"{a}ger, \textit{J. Phys. Chem. A.}, \textbf{115}(2011) 9456.}$^{;}$\footnote{M. Ishiguro, K Harada, K. Tanaka, Y. Sumiyoshi, Y. Endo, \textit{Chem. Phys. Lett.}, \textbf{554}(2012) 33.} In this work, \textit{ortho} and \textit{para} hydrogen are assigned together. The a-axis in the present species is coincident with internal rotation axis of hydrogen. This symmetry, along with a covalent interaction of the H$_2$ with the metal chlorides, allows for a straightforward global assignment of the \textit{ortho} and \textit{para} species. The differences in the present study from the previous works will be discussed, as well as the assignment of the combined \textit{ortho} and \textit{para} fits.
Issue Date:2014-06-17
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Obenchain, D.A.; Novick, S.E.; Pickett, H.M.; Frank, D.S.; Grubbs II, G.S. THE COMBINED ORTHO / PARA HYDROGEN ASSIGNMENTS IN H2 METAL CHLORIDES. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.TE04
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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