University of Illinois Urbana-Champaign

Accurate 14nh3 rovibrational ir analysis at 6000 cm−1

Huang, Xinchuan

Content Files
4380.pdf

Permalink

https://hdl.handle.net/2142/107320

Description

Title
Accurate 14nh3 rovibrational ir analysis at 6000 cm−1
Author(s)
Huang, Xinchuan
Contributor(s)
  • Toon, Geoffrey C.
  • Brown, Linda R.
  • Schwenke, David
  • Lee, Timothy
  • Sung, Keeyoon
Issue Date
2020-06-23
Keyword(s)
Mini-symposium: Large Amplitude Motions
Date of Ingest
2020-06-26T03:04:06Z
Abstract
Ammonia is an important “weed” molecule in interstellar medium, planetary and exoplanetary atmosphere studies. In last ten years, new experimental IR analysis have been reported in the extended region between 5000 \wn (or 2 $\mu$m) and 10,000 \wn (or 1 $\mu$m). But reliable line list is still missing for the 6000 \wn (or 1.63 $\mu$m) region. Combining the JPL experimental measurements with the line positions predicted on our Ames-Pre3 potential energy surface and the 296K intensity predicted by the UCL-C2018 line list, we have been able to successfully assign more than 1300 transitions in that range. The transitions belong to following bands: \nub{2}+\nub{3}+\nub{4} (0111), \nub{1}+\nub{2}+\nub{4} (1101), 3\nub{2}+\nub{3} (0310), \nub{1}+3\nub{2} (1300), 6\nub{2} (0600s),and a "hot" band 2\nub{2}+\nub{3}+\nub{4} (0211) -- \nub{2} (0100). The combination difference for the determined experimental energy levels are about 1E-3 \wn, close to the resolution of lab measurements. Our Ames-Pre3 predictions for most J=0-10 transitions are found to be accurate within $\pm$ ~0.05 \wn, better than the C2018 line positions. Newly determined band origins and rovibrational levels will be presented along with band-by-band simulations comparing to the observed spectra. More complete Effective Hamiltonian model analysis is the target due for future work.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
Text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/107320
Copyright and License Information
Copyright 2020 is held by the Author(s)

Owning Collections

Abstracts & Presentations - 2020 International Symposium on Molecular Spectroscopy PRIMARY