Absorption spectra of ammonia near 1μm

An ammonia absorption spectrum recorded at room temperature in the region 8800–10,400cm−1 is analysed using a variational line list, BYTe, and ground state energies determined using the MARVEL procedure. BYTe is used as a starting point to initialise assignments by combination differences and the me...

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Veröffentlicht in:Journal of quantitative spectroscopy & radiative transfer 2017-12, Vol.203, p.392-397
Hauptverfasser: Barton, Emma J., Polyansky, Oleg L., Yurchenko, Sergei.N., Tennyson, Jonathan, Civiš, S., Ferus, M., Hargreaves, R., Ovsyannikov, R.I., Kyuberis, A.A., Zobov, N.F., Béguier, S., Campargue, A.
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Sprache:eng
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Zusammenfassung:An ammonia absorption spectrum recorded at room temperature in the region 8800–10,400cm−1 is analysed using a variational line list, BYTe, and ground state energies determined using the MARVEL procedure. BYTe is used as a starting point to initialise assignments by combination differences and the method of branches. Assignments are presented for the region 9400–9850cm−1. 642 lines are assigned to 6 previously unobserved vibrational bands, (2v1+2v42)±, (2v1+v31)± and (v1+v31+2v42)±, leading to 428 new energy levels with 208 confirmed by combination differences. A recently calculated purely ab initio NH3 PES is also used to calculate rovibrational energy levels. Comparison with assigned levels shows better agreement between observed and calculated levels than for BYTe for higher vibrational bands. [Display omitted]
ISSN:0022-4073
1879-1352
DOI:10.1016/j.jqsrt.2017.03.042