High sensitivity Cavity Ring Down spectroscopy of 18O enriched carbon dioxide between 5850 and 7000 cm-1: Part III-Analysis and theoretical modeling of the 12C17O2, 16O12C17O, 17O12C18O, 16O13C17O and 17O13C18O spectra

More than 19,700 transitions belonging to 11 isotopologues of carbon dioxide have been assigned in the room temperature absorption spectrum of highly 18O enriched carbon dioxide recorded by very high sensitivity CW-Cavity Ring Down spectroscopy between 5851 and 6990 cm-1 (1.71-1.43 \mum). This third and last report is devoted to the analysis of the bands of five 17O containing isotopologues present at very low concentration in the studied spectra: 16O12C17O, 17O12C18O, 16O13C17O, 17O13C18O and 12C17O2 (627, 728, 637, 738 and 727 in short hand notation). On the basis of the predictions of effective Hamiltonian models, a total of 1759, 1786, 335, 273 and 551 transitions belonging to 24, 24, 5, 4 and 7 bands were rovibrationally assigned for 627, 728, 637, 738 and 727, respectively. For comparison, only five bands were previously measured in the region for the 728 species. All the identified bands belong to the \deltaP=8 and 9 series of transitions, where P=2V1+V2+3V3 is the polyad number (Vi are vibrational quantum numbers). The band-by-band analysis has allowed deriving accurate spectroscopic parameters of 61 bands from a fit of the measured line positions. Two interpolyad resonance perturbations were identified

A room temperature CO2 line list with ab initio computed intensities

Atmospheric carbon dioxide concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5% or better. We report a theoretical study providing rotation-vibration line intensities substantially within the required accuracy based on the use of a highly accurate ab initio dipole moment surface (DMS). The theoretical model developed is used to compute CO2 intensities with uncertainty estimates informed by cross comparing line lists calculated using pairs of potential energy surfaces (PES) and DMS's of similar high quality. This yields lines sensitivities which are utilized in reliability analysis of our results. The final outcome is compared to recent accurate measurements as well as the HITRAN2012 database. Transition frequencies are obtained from effective Hamiltonian calculations to produce a comprehensive line list covering all 12C16O2 transitions below 8000cm-1 and stronger than 10-30cm/ molecule at T=296K

Room temperature line lists for CO2 symmetric isotopologues with ab initio computed intensities

Remote sensing experiments require high-accuracy, preferably sub-percent, line intensities and in response to this need we present computed room temperature line lists for six symmetric isotopologues of carbon dioxide: 13C16O2, 14C16O2, 12C17O2, 12C18O2, 13C17O2 and 13C18O2, covering the range 0–8000 cm−1. Our calculation scheme is based on variational nuclear motion calculations and on a reliability analysis of the generated line intensities. Rotation–vibration wavefunctions and energy levels are computed using the DVR3D software suite and a high quality semi-empirical potential energy surface (PES), followed by computation of intensities using an ab initio dipole moment surface (DMS). Four line lists are computed for each isotopologue to quantify sensitivity to minor distortions of the PES/DMS. Reliable lines are benchmarked against recent state-of-the-art measurements and against the HITRAN2012 database, supporting the claim that the majority of line intensities for strong bands are predicted with sub-percent accuracy. Accurate line positions are generated using an effective Hamiltonian. We recommend the use of these line lists for future remote sensing studies and their inclusion in databases

Ab initio effective rotational Hamiltonians - A comparative study

40 pages dont 6 tablesInternational audienceTwo independent methods to obtain ab initio effective rotational Hamiltonians have been implemented recently. The first one is based on a generalization of perturbation theory to non-commutative rings, the other one on contact transformation techniques. In principle, both methods are able to give rotational Hamiltonians including centrugal distortion effects of arbitrary high orders. These methods are compared for the first time in this article with regard to calculations of the rotational levels of methane vibrational ground state

Nightside Pollution of Exoplanet Transit Depths

Out of the known transiting extrasolar planets, the majority are gas giants orbiting their host star at close proximity. Both theoretical and observational studies support the hypothesis that such bodies emit significant amounts of flux relative to the host star, increasing towards infrared wavelengths. For the dayside of the exoplanet, this phenomenon typically permits detectable secondary eclipses at such wavelengths, which may be used to infer atmospheric composition. In this paper, we explore the effects of emission from the nightside of the exoplanet on the primary transit lightcurve, which is essentially a self-blend. Allowing for nightside emission, an exoplanet's transit depth is no longer exclusively a function of the ratio-of-radii. The nightside of an exoplanet is emitting flux and the contrast to the star's emission is of the order of ~10^(-3) for hot-Jupiters. Consequently, we show that the transit depth in the mid-infrared will be attenuated due to flux contribution from the nightside emission by ~10^(-4). We show how this effect can be compensated for in the case where exoplanet phase curves have been measured, in particular for HD 189733b. For other systems, it may be possible to make a first-order correction by using temperature estimates of the planet. Unless the effect is accounted for, transmission spectra will also be polluted by nightside emission and we estimate that a Spitzer broadband spectrum on a bright target is altered at the 1-sigma level. Using archived Spitzer measurements, we show that the effect respectively increases the 8.0um and 24.0um transit depths by 1-sigma and 0.5-sigma per transit for HD 189733b. Consequently, we estimate that this would be 5-10 sigma effect for near-future JWST observations.Comment: Accepted in MNRA

Synthesising, using, and correcting for telluric features in high-resolution astronomical spectra

We present a technique to synthesise telluric absorption and emission features both for in-situ wavelength calibration and for their removal from astronomical spectra. While the presented technique is applicable for a wide variety of optical and infrared spectra, we concentrate in this paper on selected high-resolution near-infrared spectra obtained with the CRIRES spectrograph to demonstrate its performance and limitation. We find that synthetic spectra reproduce telluric absorption features to about 2%, even close to saturated line cores. Thus, synthetic telluric spectra could be used to replace the observation of telluric standard stars, saving valuable observing time. This technique also provides a precise in-situ wavelength calibration, especially useful for high-resolution near-infrared spectra in the absence of other calibration sources.Comment: 11 pages, 11 figures, accepted for publication in A&A (updated version

Disequilibrium Carbon, Oxygen, and Nitrogen Chemistry in the Atmospheres of HD 189733b and HD 209458b

We have developed 1-D photochemical and thermochemical kinetics and diffusion models for the transiting exoplanets HD 189733b and HD 209458b to study the effects of disequilibrium chemistry on the atmospheric composition of "hot Jupiters." Here we investigate the coupled chemistry of neutral carbon, hydrogen, oxygen, and nitrogen species, and we compare the model results with existing transit and eclipse observations. We find that the vertical profiles of molecular constituents are significantly affected by transport-induced quenching and photochemistry, particularly on cooler HD 189733b; however, the warmer stratospheric temperatures on HD 209458b can help maintain thermochemical equilibrium and reduce the effects of disequilibrium chemistry. For both planets, the methane and ammonia mole fractions are found to be enhanced over their equilibrium values at pressures of a few bar to less than a mbar due to transport-induced quenching, but CH4 and NH3 are photochemically removed at higher altitudes. Atomic species, unsaturated hydrocarbons (particularly C2H2), some nitriles (particularly HCN), and radicals like OH, CH3, and NH2 are enhanced overequilibrium predictions because of quenching and photochemistry. In contrast, CO, H2O, N2, and CO2 more closely follow their equilibrium profiles, except at pressures < 1 microbar, where CO, H2O, and N2 are photochemically destroyed and CO2 is produced before its eventual high-altitude destruction. The enhanced abundances of HCN, CH4, and NH3 in particular are expected to affect the spectral signatures and thermal profiles HD 189733b and other, relatively cool, close-in transiting exoplanets. We examine the sensitivity of our results to the assumed temperature structure and eddy diffusion coefficientss and discuss further observational consequences of these models.Comment: 40 pages, 16 figures, accepted for publication in Astrophysical Journa

Water in HD 209458b's atmosphere from 3.6 - 8 microns IRAC photometric observations in primary transit

The hot Jupiter HD 209458b was observed during primary transit at 3.6, 4.5, 5.8 and 8.0 microns using the Infrared Array Camera (IRAC) on the Spitzer Space Telescope. We detail here the procedures we adopted to correct for the systematic trends present in the IRAC data. The light curves were fitted including limb darkening effects and fitted using Markov Chain Monte Carlo and prayer-bead Monte Carlo techniques, finding almost identical results. The final depth measurements obtained by a combined Markov Chain Monte Carlo fit are at 3.6 microns, 1.469 +- 0.013 % and 1.448 +- 0.013 %; at 4.5 microns, 1.478 +- 0.017 % ; at 5.8 microns, 1.549 +- 0.015 % and at 8.0 microns 1.535 +- 0.011 %. Our results clearly indicate the presence of water in the planetary atmosphere. Our broad band photometric measurements with IRAC prevent us from determining the additional presence of other other molecules such as CO, CO2 and methane for which spectroscopy is needed. While water vapour with a mixing ratio of 10^-4-10^-3 combined with thermal profiles retrieved from the day-side may provide a very good fit to our observations, this data set alone is unable to resolve completely the degeneracy between water abundance and atmospheric thermal profile.Comment: 14 pages, 6 tables, 10 figures, Accepted for publication in MNRA

The 2015 edition of the GEISA spectroscopic database

The GEISA database (Gestion et Etude des Informations Spectroscopiques Atmosphériques: Management and Study of Atmospheric Spectroscopic Information) has been developed and maintained by the ARA/ABC(t) group at LMD since 1974. GEISA is constantly evolving, taking into account the best available spectroscopic data. This paper presents the 2015 release of GEISA (GEISA-2015), which updates the last edition of 2011 and celebrates the 40th anniversary of the database. Significant updates and additions have been implemented in the three following independent databases of GEISA. The “line parameters database” contains 52 molecular species (118 isotopologues) and transitions in the spectral range from 10−6 to 35,877.031 cm−1, representing 5,067,351 entries, against 3,794,297 in GEISA-2011. Among the previously existing molecules, 20 molecular species have been updated. A new molecule (SO3) has been added. HDO, isotopologue of H2O, is now identified as an independent molecular species. Seven new isotopologues have been added to the GEISA-2015 database. The “cross section sub-database” has been enriched by the addition of 43 new molecular species in its infrared part, 4 molecules (ethane, propane, acetone, acetonitrile) are also updated; they represent 3% of the update. A new section is added, in the near-infrared spectral region, involving 7 molecular species: CH3CN, CH3I, CH3O2, H2CO, HO2, HONO, NH3. The “microphysical and optical properties of atmospheric aerosols sub-database” has been updated for the first time since 2003. It contains more than 40 species originating from NCAR and 20 from the ARIA archive of Oxford University. As for the previous versions, this new release of GEISA and associated management software facilities are implemented and freely accessible on the AERIS/ESPRI atmospheric chemistry data center website