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Ames-296K Infrared Line Lists for Nitrous Oxide (N2O) and isotopologues (Ames-1 PES & DMS based)

Last Revision Date: May 11, 2023
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Published Date: May 11, 2023
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Description

[Supplementary data files to "Highly Accurate Potential Energy Surface and Dipole Moment Surface for Nitrous Oxide and Ames-296K Infrared Line Lists for 14N216O and Minor Isotopologues"]

First generation of Ames-296K Infrared line lists computed for each of 12 N2O isotopologues of 14/15N and 16/17/18O in the full range of 0 – 15,000 cm-1, with E' up to 20,000 cm-1and intensity cutoff 1 x 10-31 cm-1/molecule.cm-2 at room temperature (296 K), computed using Ames-1 PES (refined) and DMS. Each line list contains 1.3 – 1.6 million transitions. A 'natural' N2O line list includes 3.19 million lines from all N2O isotopologues with intensities scaled by their terrestrial abundances. Compared to HITRAN, HITEMP, NOSL-296, and recent high-resolution experiments. the line lists provide much more complete coverage, plus more reliable and more consistent predictions for those bands missing from current databases, e.g., weaker bands, high energy bands, or minor isotopologue bands. These line lists will enable the N2O IR spectral analysis and opacity simulation required to enhance the scientific return from astronomical observations, and facilitate the chracterization of astrophysics environments containing N2O, which is one of the important potential biosignature molecules in the atmosphere of those exoplanets that reside in habitable zones. These are the first-generation, highly accurate IR line lists generated from studies funded by NASA Grant 18-APRA18-0013 through NASA/SETI Institute Co-operative Agreement 80NSSC20K1358. See https://huang.seti.org/N2O/n2o.html and https://doi.org/10.5281/zenodo.7888194 for data format and abundance information.

Data
File or URL Description/Data Usage File Size Date
N2O_12_iso_J0-150_levels_based_on_Ames-1.PES.zip J=0-150 rovibrational energy levels of 12 N2O isotopologues of 14/15N and 16/17/18O, computed on Ames-1 PES. Up to 15,000 cm-1 or 19,500 cm-1 above zero-point energy. 169.68 MB May 11, 2023
n2o.natural.296K.Ames-1.12iso.J150.1E-31.dat Ames-296K "natural" N2O IR line list including all 12 isotopologues of 14/15N and 16/17/18O with terrestrial abundances. Ames-1 PES and DMS based. 353.3 MB May 11, 2023
N2O_12_iso_Ames-296K_IR_line_lists.zip Ames-296K IR line lists for each of 12 N2O isotopologues of 14/15N and 16/17/18O in the range of 0 - 15,000 cm-1, with J=0-150, intensity cut off at 1E-31 cm/molecule. Based on Ames-1 PES and DMS for N2O. 592.72 MB May 11, 2023
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How to Cite

When using this dataset, please cite the data package provided here as well as original publications, when available. License terms and conditions apply. Creative Commons License

Dataset: Huang, X; Lee, T; Schwenke, D. Ames-296K Infrared Line Lists for Nitrous Oxide (N2O) and isotopologues (Ames-1 PES & DMS based). Astrobiology Habitable Environment Database. Retrieved Date: Jun 11, 2025. https://doi.org/10.48667/9kmk-0334
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