Absorption spectra of ammonia near 1 mu m

0484202 - ÚFCH JH 2018 RIV GB eng J - Journal Article
Barton, E. J. - Polyansky, O. L. - Yurchenko, S. N. - Tennyson, J. - Civiš, Svatopluk - Ferus, Martin - Hargreaves, R. - Ovsyannikov, R. I. - Kyuberis, A. A. - Zobov, N. F. - Béguier, S. - Campargue, A.
Absorption spectra of ammonia near 1 mu m.
Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 203, DEC 2017 (2017), s. 392-397. ISSN 0022-4073. E-ISSN 1879-1352
EU Projects: European Commission(XE) 267219 - EXOMOL
Grant - others:RFBR(RU) 16-32-00244
Institutional support: RVO:61388955
Keywords : room temperature * ammonia * absorption intensities * FTIR spectroscopy
OECD category: Physical chemistry
Impact factor: 2.600, year: 2017

An ammonia absorption spectrum recorded at room temperature in the region 8800-10,400 cm(-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 9400-9850 cm(-1). 642 lines are assigned to 6 previously unobserved vibrational bands, (2 nu(1) + 2 nu(2)(4))(+/-), (2 nu(1) + nu(1)(3))(+/-) and (nu(1) + nu(1)(3) + 2 nu(2)(4))(+/-), 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. (C) 2017 Elsevier Ltd. All rights reserved.
Permanent Link: http://hdl.handle.net/11104/0279335