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High-resolution analysis of the 12.6 mum spectral region of the nitryl chloride ClNO2 molecule

Flaud, Jean-Marie and Anantharajah, A. and Kwabia Tchana, F. and Manceron, L. and Orphal, J. and Wagner, Georg and Birk, Manfred (2018) High-resolution analysis of the 12.6 mum spectral region of the nitryl chloride ClNO2 molecule. Journal of Quantitative Spectroscopy & Radiative Transfer, 224, pp. 217-221. Elsevier. DOI: 10.1016/j.jqsrt.2018.11.020 ISSN 0022-4073

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Abstract

The 12.6 mum region of nitryl chloride (ClNO2) has been recorded at high resolution (0.00102 cm-1) using a Fourier transform spectrometer and the SOLEIL synchrotron light source. ClNO2 was found during our studies of chlorine nitrate and, after fractional distillations it was introduced into a multipass White cell made of inert materials, with an optical path length of 5.4 m. 320 scans were recorded for the range 600-980 cm-1 at a total pressure of 0.23 hPa and a temperature of 250 K. A thorough analysis of the v2, 2v6 and 2v3 bands of 35ClNO2 and of the v2 band of 37ClNO2 falling in this region has been carried out using a Hamiltonian model which takes explicitly into account the numerous resonances affecting the ro-vibrational energy levels; especially the C-type Coriolis resonance between the v2 and the v3 +v6 modes. These two modes are only separated by less than 20 cm-1 and are thoroughly mixed. From the fittings, the following band centers were derived: v0(v2) = 792.761264(60) cm-1, v0(v3 +v6) = 775.8923(20) cm-1, v0(2v3) = 734.183576(20) cm-1 and v0(2v6) = 819.836727(90) cm-1 for 35ClNO2 and v0(v2) = 792.258284(30) cm-1 and v0(v3 +v6) = 774.6826(30) cm-1 for 37ClNO2 where the uncertainties are one standard deviation. Due to their sharp Q branches falling into an atmospheric "window", the detection of the v2 bands might be an advantageous route for future attempts to quantify atmospheric ClNO2, using infrared techniques.

Item URL in elib:https://elib.dlr.de/124852/
Document Type:Article
Title:High-resolution analysis of the 12.6 mum spectral region of the nitryl chloride ClNO2 molecule
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Flaud, Jean-MarieLISA, CNRS/Universites ParisUNSPECIFIED
Anantharajah, A.LISA, CNRS/Universites ParisUNSPECIFIED
Kwabia Tchana, F.LISA, CNRS/Universites ParisUNSPECIFIED
Manceron, L.Ligne AILES, Synchrotron SOLEIL, L’Orme des Merisiers, St-Aubin BP48, F-91192 Gif-sur-Yvette Cedex, FranceUNSPECIFIED
Orphal, J.Karlsruhe Institute of Technology, Institute for Meteorology and Climate Research, Eggenstein-Leopoldshafen 76344, GERMANYUNSPECIFIED
Wagner, GeorgGeorg.Wagner (at) dlr.deUNSPECIFIED
Birk, ManfredManfred.Birk (at) dlr.deUNSPECIFIED
Date:November 2018
Journal or Publication Title:Journal of Quantitative Spectroscopy & Radiative Transfer
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:224
DOI :10.1016/j.jqsrt.2018.11.020
Page Range:pp. 217-221
Publisher:Elsevier
ISSN:0022-4073
Status:Published
Keywords:nitryl chloride, high resolution spectrum, mid infrared, Fourier transform spectroscopy, quantum mechanical analysis
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Earth Observation
DLR - Research area:Raumfahrt
DLR - Program:R EO - Erdbeobachtung
DLR - Research theme (Project):Vorhaben Spectroscopic Methods in Remote Sensing
Location: Oberpfaffenhofen
Institutes and Institutions:Remote Sensing Technology Institute > Experimental Methods
Deposited By: Birk, Manfred
Deposited On:14 Dec 2018 16:57
Last Modified:14 Dec 2018 16:57

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