Bank of Spectral Line Parameters of the H 2 S Molecule
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ECTROSCOPY OF AMBIENT MEDIUM
Bank of Spectral Line Parameters of the H2S Molecule A. A. Lukashevskayaa, * and V. I. Perevalova, ** a
V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences, Tomsk, 634055 Russia *e-mail: [email protected] **e-mail: [email protected] Received February 4, 2020; revised February 4, 2020; accepted February 18, 2020
Abstract—A bank of spectral line parameters of the principal isotopologue of the hydrogen sulfide molecule (H232S) is presented. The databank is based on the global simulation of line positions and intensities of this molecule within the method of effective operators. Parameters of the global effective Hamiltonian and effective dipole moment operator were derived from their fitting to the line positions and intensities observed, respectively, which were taken from the literature. The databank covers the 552.76–8424.32 cm−1 spectral range and includes the calculated values of the following spectral line parameters: line position and intensity, energies of lower and upper states, Einstein coefficient for the spontaneous emission, and the statistical weights of the lower and upper states. The intensity cutoff was chosen equal to 10−28 cm/molecule at T = 296 K. In total, the databank contains about 88 thousand lines. This databank is deployed on the website of V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences (ftp://ftp.iao.ru/pub/H2S/). Keywords: hydrogen sulfide, H232S, high resolution spectra, spectral line parameters, global simulation, effective Hamiltonian, effective dipole moment operator, bank of spectral line parameters DOI: 10.1134/S1024856020050103
INTRODUCTION Hydrogen sulfide is one of gases which pollute the Earth’s atmosphere. Its sources are oil and gas processing plants and volcanic eruptions. Bacteria living on the bottom of the Black Sea and in the water column at a depth of more than 2 km, decomposing organic matter that comes from the sea surface and the land, also emit poisonous hydrogen sulfide [1]. Hydrogen sulfide has been discovered in the atmospheres of other solar planets. Sulfur is a key element in the chemistry of some giant planets, since gaseous sulfur compounds are assumed to react with NH3 and condense as NH4SH crystals, which form tropospheric clouds of these planets [2]. For example, hydrogen sulfide is found in the atmospheres of Uranus [3] and Jupiter [4]. In addition, the hydrogen sulfide molecule is an indicator of life on exoplanets [5]. Spectroscopic methods are used in remote sensing of the Earth’s atmosphere, for estimation of the H2S concentration in the atmospheres of giant planets, and in the study of the chemical composition of the atmospheres of Venus and exoplanets. Therefore, knowledge of spectral line parameters of the H2S molecule is very important. Numerous experiments have been carried out on the study of the absorption spectra of the hydrogen sulfide molecule in the wavelength range from microwave to visible [2, 6–27]. As a result, the lists of spec-
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