Nitrogen dioxide line shift coefficients induced by air pressure

• Published in: Molecular physics Vol. 120; no. 9
• Main Authors: Lavrentieva, N. N., Dudaryonok, A. S.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 03.05.2022; Taylor & Francis Ltd
• Subjects: Human influences; intermolecular interaction; Line spectra; Mathematical analysis; Nitrogen dioxide; Parameters; Photochemistry; Quantum numbers; Room temperature; shift coefficient
• ISSN: 0026-8976; 1362-3028
• DOI: 10.1080/00268976.2022.2052370

Theoretical line shifts of nitrogen dioxide lines induced by air are reported at the room temperature (296 K). Calculations are performed for ∼31500 lines in the spectral range of 5700-7500 cm −1 for the bands including rotational quantum numbers up to  = 87 and   = 20. The data have been evaluated theoretically by a semi-empirical method which is based on the impact theory of broadening and includes the correction factors whose parameters can be determined by fitting the shift coefficients to the experimental data. Nitrogen dioxide plays an important role in the Earth's tropospheric and stratospheric photochemistry, it is one of the most common anthropogenic substances emitted into the atmosphere. Nitrogen dioxide is involved in the production and destruction of ozone. The infra-red high resolution spectra of NO 2 are the subject of intense interest during recent years. Obtained results are implemented in spectroscopic databases aimed at atmospheric applications such as HITRAN and GEISA. As to the line shift parameters, there are few papers. In this work, theoretical NO 2 -line shifts induced by air are reported for many lines.