Published October 2017 | Version v1
Journal article

Comment on the paper "NDSD-1000: High-resolution, high-temperature nitrogen dioxide spectroscopic Databank" by A.A. Lukashevskaya, N.N. Lavrentieva, A.C. Dudaryonok, V.I. Perevalov, J Quant Spectrosc Radiat Transfer 2016;184:205–17

  • 1. Laboratoire de Météorologie Dynamique/IPSL, UMR CNRS 8539, Ecole Polytechnique, Université Paris-Saclay, RD36, 91128 PALAISEAU Cedex (France)
  • 2. Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA), UMR CNRS 7583, Université Paris Est Créteil and Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil Cedex France (France)
  • 3. MONARIS, CNRS- Université Pierre et Marie Curie, UMR 8233, 4 Place Jussieu, F-75252 Paris Cedex (France)
  • 4. Ligne AILES, Synchrotron SOLEIL, L'Orme des Merisiers, F-91192 Gif-sur-Yvette (France)

Description

Highlights: • It is demonstrated that the infrared NO2 line intensities included in the HITRAN and GEISA databases were generated using the correct theoretical model. • An error was performed for line intensities in the NDSD-1000 high-temperature nitrogen dioxide spectroscopic databank. • A high resolution Fourier transform spectrum recorded for NO2 at 6.2 µm validates the correct line intensity calculation. - Abstract: A recent paper [1] presents a high-resolution, high-temperature version of the Nitrogen Dioxide Spectroscopic Databank called NDSD-1000. The NDSD-1000 database contains line parameters (positions, intensities, self- and air-broadening coefficients, exponents of the temperature dependence of self- and air-broadening coefficients) for numerous cold and hot bands of the 14N16O2 isotopomer of nitrogen dioxide. The parameters used for the line positions and intensities calculation were generated through a global modeling of experimental data collected in the literature within the framework of the method of effective operators. However, the form of the effective dipole moment operator used to compute the NO2 line intensities in the NDSD-1000 database differs from the classical one used for line intensities calculation in the NO2 infrared literature [12]. Using Fourier transform spectra recorded at high resolution in the 6.3 µm region, it is shown here, that the NDSD-1000 formulation is incorrect since the computed intensities do not account properly for the (Int(+)/Int(−)) intensity ratio between the (+) (J = N+ 1/2) and (−) (J = N−1/2) electron – spin rotation subcomponents of the computed vibration rotation transitions. On the other hand, in the HITRAN or GEISA spectroscopic databases, the NO2 line intensities were computed using the classical theoretical approach, and it is shown here that these data lead to a significant better agreement between the observed and calculated spectra.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.jqsrt.2017.05.029

Additional details

Identifiers

DOI
10.1016/j.jqsrt.2017.05.029;
PII
S0022-4073(17)30302-3;

Publishing Information

Journal Title
Journal of Quantitative Spectroscopy and Radiative Transfer
Journal Volume
200
Journal Page Range
p. 12-16
ISSN
0022-4073
CODEN
JQSRAE

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
49049476
Subject category
S73: NUCLEAR PHYSICS AND RADIATION PHYSICS;
Resource subtype / Literary indicator
Numerical Data
Descriptors DEI
DIPOLE MOMENTS; EXPERIMENTAL DATA; FOURIER TRANSFORMATION; NITROGEN DIOXIDE; SHELLS; SPECTRA; SPECTROSCOPY; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE 0400-1000 K
Descriptors DEC
CHALCOGENIDES; DATA; INFORMATION; INTEGRAL TRANSFORMATIONS; NITROGEN COMPOUNDS; NITROGEN OXIDES; NUMERICAL DATA; OXIDES; OXYGEN COMPOUNDS; TEMPERATURE RANGE; TRANSFORMATIONS

Optional Information

Copyright
Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.