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Title:PREDICTING PARA-ORTHO CONVERSION IN AMMONIA
Author(s):Yang, Guang
Contributor(s):Küpper, Jochen; Yachmenev, Andrey; Hartl, Ingmar; Heyl, Christoph
Subject(s):Mini-symposium: Frequency-Comb Spectroscopy
Abstract:We present a combined theoretical and experimental study of the hyperfine-resolved spectrum of ammonia and its deuterated isotopologues. The calculations have been performed using the variational approach TROVE, a new spectroscopically determined potential energy surface, and \emph{ab initio} quadrupole, spin-spin, and spin-rotation coupling surfaces. The computed spectroscopic line lists cover transitions between levels with rotational excitations $J =0...20$ and vibrational band centers with up to 8000 \wn above the zero-point-energy level. For the spectroscopic observation of the \emph{para-ortho} interconversion we use mid-infrared frequency comb spectroscopy in both ammonia vapour and a cold molecular beam. Furthermore, its modulation by external electric field is discussed. Our theoretical model, i.e., the underlying potential energy surface will be refined using the experimentally observed transitions.
Issue Date:06/20/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100791
DOI:10.15278/isms.2018.WG08
Other Identifier(s):WG08
Date Available in IDEALS:2018-08-17
2018-12-12


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