Simple isotopic relations between the energy levels of 32S16O2, 33S16O2, and 34S16O2 isotopologues and of other isotopic variants are applied to calculations of vibrational-rotational energy levels. To estimate the accuracy of these isotopic relations, we calculated line centers in the microwave spectrum of 36S16O2 isotopologue and compared them with measured ones. The comparison shows their quite satisfactory agreement at a level of 10−4 cm−1. Vibrational-rotational energy levels of sulfur dioxide isotopologues XS16O2, X = 35–38, are presented for five lower vibrational states up to J = 9.

The predicted rotation-vibration absorption spectrum of the radioactive isotopically substituted water molecule, H214O, is presented. Variational nuclear-motion calculations are performed using the DVR3D software package based on the use of a high-precision potential energy function and an accurate dipole moment surface. Line centres, intensity and Einstein coefficients are calculated, and air pressure broadening coefficients are estimated. The calculation was carried out over a wide wavenumber range from 0 to 25000 cm−1 and total angular momentum up to J = 20. Isotopologue extrapolation rules based on experimental data on the energy levels of the stable isotopologues H216O, H216O H217O and H218O were also used to improve the predicted line positions. Spectral ranges best suited to the detection of H214O are identified.

The absorption spectrum of H 2 19 O, a radioactive isotopologue of the water molecule, is predicted using variational nuclear motion calculated based on a high precision potential energy function and ab initio dipole moment surface. Vibrational - rotational energy levels and wave functions, line centers and Einstein coefficients for dipole transitions are calculated. Predicted transition wavenumbers are improved by extrapolating known empirical energy levels of the stable H 2 16 O, H 2 17 O and H 2 18 O isotopologues to H 2 19 O. A line list for possible atmospheric application is presented which includes air line broadening coefficients. The calculations span a wide spectral range covering infrared and visible wavelengths, and are appropriate for temperatures up to 1000 K. Windows suitable for observing absorption by H 2 19 O are identified and comparisons made with the infrared spectra of water vapor in natural abundance, H 2 15 O and H 2 14 O.

The predicted rotation-vibration absorption spectrum of the radioactive isotopically substituted water molecule, (H2O)-O-14, is presented. Variational nuclear-motion calculations are performed using the DVR3D software package based on the use of a high-precision potential energy function and an accurate dipole moment surface. Line centres, intensity and Einstein coefficients are calculated, and air pressure broadening coefficients are estimated. The calculation was carried out over a wide wavenumber range from 0 to 25000 cm-1-1 and total angular momentum up to J = 20. Isotopologue extrapolation rules based on experimental data on the energy levels of the stable isotopologues (H2O)-O-16, H162216O (H2O)-O-17 and (H2O)-O-18 were also used to improve the predicted line positions. Spectral ranges best suited to the detection of (H2O)-O-14 are identified.

A room temperature line list for the H215O radioactive isotopologue of the water molecule is computed using the variational nuclear-motion DVR3D program suite and an empirical high-precision potential energy function. The line list consists of rotation-vibrational energies and Einstein -A coefficients, covering a wide spectral range from 0 to 25000 cm-1 and the total angular momenta J up to 30. Estimates of air-broadening coefficients are provided. Experimentally derived energies of H216O, H217O and H218O from the literature are used to provide improved energies for important states with uncertainty estimates for the H215O. A number of the wmost promising spectroscopic ranges for the detection of H215O are proposed. The calculated absorption spectrum should be useful for the study gaseous radioactive water at IR region, determining concentration, etc.

A room temperature line list for the H215O radioactive isotopologue of the water molecule is computed using the variational nuclear-motion DVR3D program suite and an empirical high-precision potential energy function. The line list consists of rotation-vibrational energies and Einstein-A coefficients, covering a wide spectral range from 0 to 25000 cm−1 and the total angular momenta J up to 30. Estimates of air-broadening coefficients are provided. The experimentally derived energiesof the H216O, H217O and H218O from the literature are used to provide uncertainty estimates for the H215O theoretical energies as well as pseudo-experimental corrections. A number of most promising spectroscopic ranges for the detection of H215O are proposed. The calculated absorption spectrum should be useful for the study gaseous radioactive water at IR region, determining concentration,

Methane (CH4) is a greenhouse gas which directly influences climate changes on the planet. One of the sources of methane emissions in the atmosphere during human agricultural activities is the decay of animal manure and organic components of agricultural effluents. Therefore, remote control and measurement of the concentrations of agricultural products (mainly methane), which are essentially an anthropogenic factor of the impact on the atmosphere, is important. Here, we consider a possibility of creating a mobile laser absorption complex for methane monitoring at cites with agricultural effluents.

Проведено моделирование атмосферного пропускания УФ излучения в диапазоне 0,25-0,4 мкм с использованием новых линий поглощения Н2О. Были сделаны расчеты спектров пропускания с наиболее полным банком данных по линиям H2O POKAZATEL и его новой модификацией Conway et al., 2020, с уточненным банком данных W2020, а также с новой версией популярной спектроскопической базы данных HITRAN2020, в которую добавили линии Н2О в УФ диапазоне. Сделаны оценки согласия модельных спектров. Определен вклад водяного пара в атмосферный радиационный перенос солнечного излучения в УФ диапазоне с учетом многократного рассеяния и поглощения.

В работе проведено сравнение последних банков данных, компиляций и расчетов основной модификации водяного пара H216O, появившихся в последние несколько лет, таких как HITRAN, GEISA, POKAZAEL, VoTe, W2020 и др. Сравнение было выполнено в диапазоне 15000-25000 см-1. В результате, было показано, что имеются разногласия по разным диапазонам в разных источниках.

The POKAZATEL line list is currently the most complete theoretical list of H2O monomer absorption lines. It contains H2O lines up to the dissociation energy ∼40 000 cm−1 (0.25 μm). The atmospheric transmission of ultraviolet (UV) radiation is simulated with the use of H2O lines from POKAZATEL. The broadening parameters of absorption lines in the UV region are determined more accurately with the use of different approximations. It is shown that the contribution of H2O absorption lines to the atmospheric transmission can attain 0.03 near 25 000 cm−1 at a spectral resolution of 0.01 cm−1.

The atmospheric transmission of UV radiation was simulated with use of new data on H2O absorption lines in the 0.25- 0.4 μm spectral region. The transmittance spectra were calculated with the most complete H2O line list POKAZATEL, its new modification in 2020 by Conway et al, refined databank W2020, and new version of popular spectroscopic database HITRAN2020, in which the H2O lines were added in the UV region. The intercomparison of the spectra was made. The water vapor contribution to the atmospheric transfer of solar radiation in the UV region was estimated. The radiative transfer was modeled with taking into account of aerosol and Rayleigh multiple scattering and absorption.

The paper discusses calculations of vibrational energy levels for radioactive oxygen isotopologues of water vapor H2XO (where X=11,...,26). A full range of possible water vapor oxygen isotopologues considered. The vibrational levels were calculated in two ways: using the DVR3D variational nuclear motion program and the isotope substitution technique were used. Vibrational energy levels for H2 11O, H2 12O, H2 13O, H2 14O, H2 15O, H2 16O, H2 17O, H2 18O, H2 19O, H2 20O, H2 21O, H2 22O, H2 23O, H2 24O, H2 25O и H2 26O are presented.

Estimation of contribution of new theoretical lines of water vapor monomer from the POKAZATEL calculations to the absorption of solar radiation in the UV spectral region is made. The atmospheric transmission is calculated with use of different broadening parameters of H2O absorption lines.

The results of a complex experiment on retrieving the methane distribution in the troposphere over Western Siberia from solar spectra recorded with an IFS-125M FTIR spectrometer, in situ aircraft measurements, and satellite observations are described, analyzed, and compared.

A calculated infrared vibration-rotation spectrum of isotopically modified water, (H2O)-O-15, is presented. Oxygen-15 has a half-life of about 2 minutes and (H2O)-O-15 may be formed in the atmosphere during thun-derstorms as a result of photonuclear processes or when the atmosphere is irradiated by cosmic gamma-rays. Variational nuclear motion calculations of vibrational and vibrational-rotational levels up to 250 0 0 cm(-1) and up to J = 10 in angular momentum are performed within the framework of the Born-Oppenheimer approximation using an accurate water potential function. The line shape parameters for (H2O)-O-15 are es-timated. Spectral ranges that are promising for the detection of (H2O)-O-15 in the atmosphere are identified and a search for spectral signatures conducted. A spectral feature is tentatively assigned to the 7(52) (0 1 0) -6(43) (0 0 0) line of (H2O)-O-15. (C) 2021 The Author(s). Published by Elsevier Ltd.

The results of the retrievals of methane total column in the atmosphere of Western Siberia using high resolution IR solar spectra registered in May and June 2019 by the Bruker IFS125M Fourier spectrometer are presented. The obtained time series of methane total column are analyzed and compared with the collocated IASI satellite data.

The evaluation of the contribution of numerous H2O absorption lines to the atmospheric transmission in the 8-12 μm transparency window is presented based on different spectroscopic databases of water vapor absorption lines, including the new theoretical data sets POKAZATEL and VoTe, as well as the H2O data from the popular spectroscopic databases HITRAN and GEISA. Comparison of the atmospheric transmittance calculated using different databases is presented. The contribution of the weak lines is investigated and shown to be important for very long absorption paths.

The complete collection of published spectral line parameters of aluminum hydride and deuteride molecules in W@DIS and its parts are described. About 35 information sourses were created and about 60 papers were collected.

A new line list transition for the water molecule is presented. The line lists is created on the basis of VoTe calculations using cutoff values of 25 000 cm–1 in transition wavenumber and J max = 50. Calculations use the high accuracy, empirical potential energy surface (PES) of Bubukina et al. LTP2011 and the CVR water dipole moment surface (DMS) of Lodi et al. (2011). Vibration–rotation energy levels up to J = 50 are computed using DVR3D; a novel method of labeling is used which allows more thorough labelling of the energy levels with approximate vibrational and rotational quantum numbers than previous water line lists.

Анализ работы ассоциации выпускников программыМарии Кюри (Marie Curie Alumini Assosiation) как инструмента ЕС