GPRD, A Database for the Spectral Properties of Diatomic Molecules of Atmospheric Interest

A short note describing the development of a database providing factual and numerical data on the spectral properties of diatomic molecules. This database is available online for the overall scientific community at the following adress: http://cfp.ist.utl.pt/radiation/Comment: 2 page

Hot methane line lists for exoplanet and brown dwarf atmospheres

We present comprehensive experimental line lists of methane (CH4) at high temperatures obtained by recording Fourier transform infrared emission spectra. Calibrated line lists are presented for the temperatures 300 - 1400 degC at twelve 100 degC intervals spanning the 960 - 5000 cm-1 (2.0 - 10.4 microns) region of the infrared. This range encompasses the dyad, pentad and octad regions, i.e., all fundamental vibrational modes along with a number of combination, overtone and hot bands. Using our CH4 spectra, we have estimated empirical lower state energies (Elow in cm-1) and our values have been incorporated into the line lists along with line positions (cm-1) and calibrated line intensities (S' in cm molecule-1). We expect our hot CH4 line lists to find direct application in the modeling of planetary atmospheres and brown dwarfs.Comment: Supplementary material is provided via the Astrophysical Journal referenc

Spectroscopic Constants and Line Positions for TiO Singlet States

consistent set of spectroscopic constants for the a1Δ,d1Σ+,b1Π,c1Φ, and f1Δ states of 48Ti16O has been determined from analysis of the b1Π–a1Δ,b1Π–d1Σ+,c1Φ–a1Δ, and f1Δ–a1Δ systems. Three Fourier transform emission spectra have been used for the analysis. New bands of the b1Π–a1Δ and c1Φ–a1Δ systems have been fitted. The first analysis of the c1Φ–a1Δ system using Fourier transform spectra is also provided. Extensive and improved line positions are measured. TiO is prominent in the spectra of oxygen-rich cool stellar objects and may be present in hot-Jupiter exoplanet atmospheres

Line Lists for LiF and LiCl in the X1Σ+ Ground State

Vibration–rotation line lists for 6LiF, 7LiF, 6Li35Cl, 6Li37Cl, 7Li35Cl, and 7Li37Cl in the X1Σ+ ground states have been prepared. The rovibrational energy levels have been calculated using potential energy surfaces determined by direct potential-fitting employing the rotational and rovibrational transition frequencies of all isotopologues, and required the inclusion of Born–Oppenheimer breakdown terms. Dipole moment functions calculated ab initio at the MRCI/aug-cc-pwCV5Z level have been used for line strength calculations. Partition functions for temperatures up to 5000 K have been calculated. LiF and LiCl are predicted to be present in the atmospheres of hot rocky exoplanets, brown dwarfs, and cool stars

Pyrocumulonimbus Stratospheric Plume Injections Measured by the ACE‐FTS

The Atmospheric Chemistry Experiment (ACE) is a satellite‐based mission that probes Earth\u27s atmosphere via solar occultation. The primary instrument on board is a high‐resolution infrared Fourier transform spectrometer (Atmospheric Chemistry Experiment Fourier Transform Spectrometer, ACE‐FTS), providing altitude‐resolved volume mixing ratio measurements for numerous atmospheric constituents, including many biomass burning products. The ACE mission has observed the aftermath of three major pyrocumulonimbus events, in which extreme heat from intense fires created a pathway for directly injecting into the stratosphere plumes of gaseous and aerosol pollutants. These three events were associated with severe Australian bushfires from 2009 and 2019/2020, along with intense North American wildfires from summer 2017. The ACE‐FTS measured stratospheric plumes containing aerosols, enhanced levels of gaseous fire products, and tropospheric air transported into the stratosphere. Infrared spectral features indicate strikingly similar aerosol composition for all three events, characteristic of oxygenated organic matter

Line Strengths of Rovibrational and Rotational Transitions in the X2Π^2\Pi Ground State of OH

A new line list including positions and absolute intensities (in the form of Einstein $A$ values and oscillator strengths) has been produced for the OH ground X\DP\ state rovibrational (Meinel system) and pure rotational transitions. All possible transitions are included with v\primed and v\Dprimed up to 13, and $J$ up to between 9.5 and 59.5, depending on the band. An updated fit to determine molecular constants has been performed, which includes some new rotational data and a simultaneous fitting of all molecular constants. The absolute line intensities are based on a new dipole moment function, which is a combination of two high level ab initio calculations. The calculations show good agreement with an experimental v=1 lifetime, experimental $\mu_\mathrm{v}$ values, and $\Delta$v=2 line intensity ratios from an observed spectrum. To achieve this good agreement, an alteration in the method of converting matrix elements from Hund's case (b) to (a) was made. Partitions sums have been calculated using the new energy levels, for the temperature range 5-6000 K, which extends the previously available (in HITRAN) 70-3000 K range. The resulting absolute intensities have been used to calculate O abundances in the Sun, Arcturus, and two red giants in the Galactic open and globular clusters M67 and M71. Literature data based mainly on [O I] lines are available for the Sun and Arcturus, and excellent agreement is found.Comment: 17 pages, 8 figues. 7 supplementary files: dipole moment functions (OH-X-DMFs.txt), equilibrium constants (OH-X-Equilibrium_Constants.txt), partition function (OH-X-Q_5-6000K.dat), PGOPHER file with molecular constants and transition matric elements (OH-XX.pgo), vibrational Einstein A and f values (OH-XX-Avv_fvv.txt), line list (OH-XX-Line_list.txt), and OH-Transformation_Equation_Extra.doc

Balloon-borne radiometer measurement of Northern Hemisphere mid-latitude stratospheric HNO3 profiles spanning 12 years

Low-resolution atmospheric thermal emission spectra collected by balloon-borne radiometers over the time span of 1990–2002 are used to retrieve vertical profiles of HNO3, CFC-11 and CFC-12 volume mixing ratios between approximately 10 and 35 km altitude. All of the data analyzed have been collected from launches from a Northern Hemisphere mid-latitude site, during late summer, when stratospheric dynamic variability is at a minimum. The retrieval technique incorporates detailed forward modeling of the instrument and the radiative properties of the atmosphere, and obtains a best fit between modeled and measured spectra through a combination of onion-peeling and global optimization steps. The retrieved HNO3 profiles are consistent over the 12-year period, and are consistent with recent measurements by the Atmospheric Chemistry Experiment-Fourier transform spectrometer satellite instrument. This suggests that, to within the errors of the 1990 measurements, there has been no significant change in the HNO3 summer mid-latitude profile

Spectroscopic Constants, Abundances, and Opacities of the TiH Molecule

Using previous measurements and quantum chemical calculations to derive the molecular properties of the TiH molecule, we obtain new values for its ro-vibrational constants, thermochemical data, spectral line lists, line strengths, and absorption opacities. Furthermore, we calculate the abundance of TiH in M and L dwarf atmospheres and conclude that it is much higher than previously thought. We find that the TiH/TiO ratio increases strongly with decreasing metallicity, and at high temperatures can exceed unity. We suggest that, particularly for subdwarf L and M dwarfs, spectral features of TiH near $\sim$0.52 \mic, 0.94 \mic, and in the $H$ band may be more easily measureable than heretofore thought. The recent possible identification in the L subdwarf 2MASS J0532 of the 0.94 \mic feature of TiH is in keeping with this expectation. We speculate that looking for TiH in other dwarfs and subdwarfs will shed light on the distinctive titanium chemistry of the atmospheres of substellar-mass objects and the dimmest stars.Comment: 37 pages, including 4 figures and 13 tables, accepted to the Astrophysical Journa

Improved Ultraviolet and Infrared Oscillator Strengths for OH+

Molecular ions are key reaction intermediates in the interstellar medium. OH+ plays a central role in the formation of more complex chemical species and for estimating the cosmic ray ionization rate in astrophysical environments. Here, we use a recent analysis of a laboratory spectrum in conjunction with ab initio methods to calculate infrared and ultraviolet oscillator strengths. These new oscillator strengths include branch dependent intensity corrections, arising from the Herman–Wallis effect, that have not been included before. We estimate 10% total uncertainty in the UV and 6% total uncertainty in the IR for the oscillator strengths

CH in stellar atmospheres: an extensive linelist

The advent of high-resolution spectrographs and detailed stellar atmosphere modelling has strengthened the need for accurate molecular data. Carbon-enhanced metal-poor (CEMP) stars spectra are interesting objects with which to study transitions from the CH molecule. We combine programs for spectral analysis of molecules and stellar-radiative transfer codes to build an extensive CH linelist, including predissociation broadening as well as newly identified levels. We show examples of strong predissociation CH lines in CEMP stars, and we stress the important role played by the CH features in the Bond-Neff feature depressing the spectra of barium stars by as much as 0.2 magnitudes in the $\lambda=$3000 -- 5500 \AA\ range. Because of the extreme thermodynamic conditions prevailing in stellar atmospheres (compared to the laboratory), molecular transitions with high energy levels can be observed. Stellar spectra can thus be used to constrain and improve molecular data.Comment: 33pages, 15 figures, accepted in A&A external data available at http://www.astro.ulb.ac.be/~spectrotools