Collisional (de-)excitation of protonated cyanoacetylene (HC3NH+) by helium at low and moderate temperatures

ABSTRACT Protonated cyanoacetylene, HC3NH+, is detected in astrophysical media, where it plays a key role as an intermediate in the chemistries of HCN/HNC and of cyanopolyynes. We first generated a potential energy surface (PES) describing the intermonomer interaction between HC3NH+ and He in Jacobi coordinates using the highly correlated CCSD(T)-F12/aug-cc-pVTZ ab initio methodology. Then, scattering calculations based on an exact close-coupling quantum-scattering technique were done to obtain pure rotational cross-sections for the rotational (de-)excitation of HC3NH+ after collision with He for total energies up to 2500 cm−1. These cross-sections are used to deduce the collision rates in the 5–350 K temperature range for the low-lying rotational levels of HC3NH+ (up to $j\,\, = \,\,15$). In addition, we generated an average PES for the HC3NH+–H2 system. The preliminary results show that the H2($j_{\mathrm{H_2}} = 0$) and He state-to-state de-excitation cross-sections have similar magnitudes, even though the H2 cross-sections are larger by a factor of 2–2.5. This work should help with the accurate derivation of protonated cyanoacetylene abundances in non-local thermodynamical equilibrium astrophysical media. These will put more constraints on the chemical pathways involving the formation and destruction of HC3NH+ while going back to the cyanopolyyne family and more generally those parts of nitrogen-containing molecular chemistry.

Optically thin circumstellar medium in the β Lyr A system

The complex binary system β Lyr A has an extensive observational dataset: light curves (from far UV to far IR), interferometric squared visibility, closure phase, triple product measurements, spectral-energy distribution, high-resolution spectroscopy, differential visibility amplitude, and also a differential phase. In particular, we used spectra from the Ondřejov 2m telescope from 2013 to 2015 to measure the emission in Hα, He I, Si II, Ne I, or C II lines, and differential interferometry by CHARA/VEGA from the 2013 campaign to measure wavelength-dependent sizes across Hα and He I 6678. This allowed us to constrain not only optically thick objects (primary, secondary, accretion disc), but also optically thin objects (disc atmosphere, jets, shell). We extended our modelling tool, Pyshellspec (based on Shellspec; a 1D local thermodynamical equilibrium radiative transfer code), to include all new observables, to compute differential visibilities/phases, to perform a Doppler tomography, and to determine a joint χ2 metric. After an optimisation of 38 free parameters, we derived a robust model of the β Lyr A system. According to the model, the emission is formed in an extended atmosphere of the disc, two perpendicular jets expanding at ∼700 km s−1, and a symmetric shell with the radius ∼70 R⊙. The spectroscopy indicates a low abundance of carbon, 10−2 of the solar value. We also quantified systematic differences between datasets, and we discuss here alternative models with higher resolutions, additional asymmetries, or He-rich abundances.

Non-local thermodynamical equilibrium abundance analysis of singly ionized praseodymium for the Sun

ABSTRACT Determinations of the solar abundance of praseodymium (Pr) depend critically on the local thermodynamical equilibrium (LTE) and non-local thermodynamical equilibrium (NLTE) techniques beyond the capabilities of a classical one-dimensional model atmosphere. Here, in this analysis, we adopt an atomic model atom of Pr consisting of 105 energy levels and 14 bound–bound transitions of singly ionized praseodymium (Pr ii) and the ground state of the Pr iii continuum limit. We briefly analyse the solar abundance of Pr taking the solar model atmospheres of Holweger & Müller (1974, Solar Physics, 39, 19) with the measured equivalent linewidths and invoking a microturbulent velocity treatment. We succeed in accurately selecting nearby clear sections of the spectrum for 14 spectral lines of Pr ii with the improved atomic data of high-quality oscillator strengths available from the laboratory measurements of several possible sources as well as accurate damping constants successfully determined from the literature. We find a Pr abundance revised to be downwards log ϵPr(NLTE) = 0.75 ± 0.09, which is in good agreement with the meteoritic value (log ϵPr = 0.76 ± 0.03). A comparison of the NLTE abundance corrections with the standard LTE analysis, log ϵPr(LTE) = 0.74 ± 0.08, reveals a positive correction of +0.01 dex, estimated from the selected solar Pr ii lines. The Pr abundance value is clearly superior following the classical one-dimensional model atmospheres of Holweger & Müller, the absolute scales of gf-values, the microturbulent velocity and the adopted equivalent linewidths.

Effect of the 3D distribution on water observations made with the SWI

Context. Characterising and understanding the atmospheres of Jovian icy moons is one of the key exploration goals of the Submillimetre Wave Instrument (SWI), which is to be flown on ESA’s Jupiter Icy Moons Explorer (JUICE) mission. Aims. The aim of this paper is to investigate how and under which conditions a 3D asymmetric distribution of the atmosphere may affect the SWI observations. In this work we target the role of phase angle for both nadir and limb geometries for unresolved and partially resolved disc observations from large distances. Methods. We adapted the LIME software package, a 3D non-local thermodynamical equilibrium radiative transfer model, to evaluate ortho-H2O populations and synthesise the simulated SWI beam spectra for different study cases of Ganymede’s atmosphere. The temperature and density vertical distributions were adopted from a previous work. The study cases presented here were selected according to the distance and operational scenarios of moon monitoring anticipated for SWI during the Jupiter phase of the JUICE mission. Results. We demonstrate that nadir and limb observations at different phase angles will modify the line amplitude and width. Unresolved observations where both absorption against surface continuum and limb emission contributes within the beam will lead to characteristic line wing emission, which may also appear in pure nadir geometry for specific phase angles. We also find that for Ganymede, the 3D non-local thermodynamical equilibrium populations are more highly excited in the upper atmosphere near the sub-solar region than they are in 1D spherically symmetric models. Finally, the 3D radiative transfer is better suited to properly simulate spectral lines for cases where density or population gradients exist along the line of sight.

Near optimal angular quadratures for polarised radiative transfer

In three-dimensional (3D) radiative transfer (RT) problems, the tensor product quadratures are generally not optimal in terms of the number of discrete ray directions needed for a given accuracy of the angular integration of the radiation field. In this paper, we derive a new set of angular quadrature rules that are more suitable for solving 3D RT problems with the short- and long-characteristics formal solvers. These quadratures are more suitable than the currently used ones for the numerical calculation of the radiation field tensors that are relevant in the problem of the generation and transfer of polarised radiation without assuming local thermodynamical equilibrium (non-LTE). We show that our new quadratures can save up to about 30% of computing time with respect to the Gaussian-trapezoidal product quadratures with the same accuracy.

Quenching rates and critical densities of c-C3H2

Cyclopropenylidene,, is a simple hydrocarbon, ubiquitous in astrophysical gases, and possessing a permanent electric dipole moment. Its readily observed multifrequency rotational transitions make it an excellent probe for the physics and history of interstellar matter. The collisional properties of with He are presented here. We computed the full Potential Energy Surfaces, and we perform quantum scattering in order to provide rates of quenching and excitation for low to medium temperature regimes. We discuss issues with the validity of the usual Local Thermodynamical Equilibrium assumption, and also the intricacies of the spectroscopy of an asymmetric top. We present the wide range of actual critical densities, as recently observed.

Possibility of chromospheric back-radiation influencing the lithium line formation in Spite plateau stars

Context. Spectroscopically determined lithium abundances of metal-poor turn-off dwarfs are known to be nearly constant (Spite plateau), but manifestly lower than the primordial value expected from the standard cosmological model. However, abundance determination by using conventional model atmospheres may not necessarily be correct since the existence of high-temperature chromosphere even in very old stars has been confirmed. Aims. The aim of this study is to examine how the extra UV flux possibly irradiated from the chromosphere could affect the formation of the Li I 6708 line, and whether or not its influence might lead to a solution of the Li abundance discrepancy. Methods. A simple model chromosphere of a uniform thin gray slab emitting only thermal radiation is assumed, characterized by optical thickness and temperature. By taking into account this incident radiation in the surface boundary condition, non-local thermodynamical equilibrium calculations for neutral Li atoms are carried out in order to see how the equivalent widths and the resulting abundances are affected by these parameters. Results. If the parameters are appropriately chosen, the strength of the Li I 6708 line can be reduced by a factor of ~2–3 due to overionization caused by enhanced UV radiation, leading to an apparent lowering of the abundance by ~0.3–0.5 dex, which is consistent with the discrepancy in question. Moreover, the observed slight metallicity-dependent trend of the plateau can also be reproduced as a result of the change in atmospheric transparency. Conclusions. Superficial underestimation of Li abundances due to considerable overionization caused by chromospheric radiation may be regarded as a ponderable interpretation for the cosmological Li problem. The touchstone to verify this model would be to check the existence of significantly enhanced UV radiation in these Spite plateau stars, which should be detected if this scenario is valid, although very few such UV spectrophotometric observations have been done to date.

Ammonia in C-rich stars

HIFI instrument onboard the Herschel satellite provided an unprecedented number of detections of rotational transitions of ammonia in circumstellar envelopes of evolved stars including massive red supergiants, Asymptotic Giant Branch (AGB), and post-AGB stars. The chemistry of ammonia formation in the circumstellar envelopes of evolved stars is poorly understood. The mechanisms proposed for its formation are processes behind the shock front, photochemistry in the inner part of the clumpy envelope, and formation on dust grains. We present results of the non-local thermodynamical equilibrium (non-LTE) radiative transfer modeling of ammonia transitions, mainly of the ground-state rotational one NH3 JK = 10 – 00 at 572.5 GHz, in selected AGB stars, aiming at the quantitative estimation of the NH3 abundance. The model of ammonia includes IR radiative pumping via v2 = 1 vibrational band at 10 μm.

Footpoints of the giant molecular loops in the Galactic center region

Aims. We aim to reveal the morphology, chemical composition, kinematics, and to establish the main processes prevalent in the gas at the footpoints of the giant molecular loops (GMLs) in the Galactic center region. Methods. Using the 22-m Mopra telescope, we mapped the M−3.8+0.9 molecular cloud, placed at the footpoints of a GML, in 3-mm range molecular lines. To derive the molecular hydrogen column density, we also observed the 13CO(2 − 1) line at 1 mm using the 12-m APEX telescope. From the 3 mm observations 12 molecular species were detected, namely HCO+, HCN, H13CN, HNC, SiO, CS, CH3OH, N2H+, SO, HNCO, OCS, and HC3N. Results. Maps revealing the morphology and kinematics of the M−3.8+0.9 molecular cloud in different molecules are presented. We identify six main molecular complexes. We derive fractional abundances in 11 selected positions of the different molecules assuming local thermodynamical equilibrium. Conclusions. Most of the fractional abundances derived for the M−3.8+0.9 molecular cloud are very similar over the whole cloud. However, the fractional abundances of some molecules show significant difference with respect to those measured in the central molecular zone (CMZ). The abundances of the shock tracer SiO are very similar between the GMLs and the CMZ. The methanol emission is the most abundant species in the GMLs. This indicates that the gas is likely affected by moderate ~30 km s−1 or even high velocity (50 km s−1) shocks, consistent with the line profile observed toward one of the studied position. The origin of the shocks is likely related to the flow of the gas throughout the GMLs towards the footpoints.

A detailed study of lithium in 107 CHEPS dwarf stars

Context. We report results from lithium abundance determinations using high resolution spectral analysis of the 107 metal-rich stars from the Calan-Hertfordshire Extrasolar Planet Search programme. Aims. We aim to set out to understand the lithium distribution of the population of stars taken from this survey. Methods. The lithium abundance taking account of non-local thermodynamical equilibrium effects was determined from the fits to the Li I 6708 Å resonance doublet profiles in the observed spectra. Results. We find that a) fast rotators tend to have higher lithium abundances; b) log N(Li) is higher in more massive and hot stars; c) log N(Li) is higher in stars of lower log g; d) stars with the metallicities >0.25 dex do not show the lithium lines in their spectra; e) most of our planet hosts rotate slower; and f) a lower limit of lithium isotopic ratio is 7Li/6Li > 10 in the atmospheres of two stars with planets (SWP) and two non-SWP stars. Conclusions. Measurable lithium abundances were found in the atmospheres of 45 stars located at distances of 20−170 pc from the Sun, for the other 62 stars the upper limits of log N(Li) were computed. We found well defined dependences of lithium abundances on Teff, V sin i, and less pronounced for the log g. In case of V sin i we see two sequences of stars: with measurable lithium and with the upper limit of log N(Li). About 10% of our targets are known to host planets. Only two SWP have notable lithium abundances, so we found a lower proportion of stars with detectable Li among known planet hosts than among stars without planets. However, given the small sample size of our planet-host sample, our analysis does not show any statistically significant differences in the lithium abundance between SWP and stars without known planets.