University of Illinois Urbana-Champaign

Predicting para-ortho conversion in ammonia

Yang, Guang

Content Files
1084118.pdf
2954.pdf

Permalink

https://hdl.handle.net/2142/100791

Description

Title
Predicting para-ortho conversion in ammonia
Author(s)
Yang, Guang
Contributor(s)
  • Küpper, Jochen
  • Yachmenev, Andrey
  • Hartl, Ingmar
  • Heyl, Christoph
Issue Date
2018-06-20
Keyword(s)
Mini-symposium: Frequency-Comb Spectroscopy
Date of Ingest
  • 2018-08-17T16:09:46Z
  • 2018-12-12T22:36:10Z
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 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 cm−1 above the zero-point-energy level. For the spectroscopic observation of the 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.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/100791
DOI
10.15278/isms.2018.WG08
Copyright and License Information
Copyright 2018 Guang Yang

Owning Collections

Abstracts & Presentations - 2018 International Symposium on Molecular Spectroscopy PRIMARY