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Experimentally conducted reactions between CO 2 and various substrates ( i.e. , ethylenediamine (EDA), ethanolamine (ETA), ethylene glycol (EG), mercaptoethanol (ME), and ethylene dithiol (EDT)) are considered in a computational study. The reactions were previously conducted under harsh conditions utilizing toxic metal catalysts. We computationally utilize Brønsted acidic ionic liquid (IL) [Et 2 NH 2 ]HSO 4 as a catalyst aiming to investigate and propose ‘greener’ pathways for future experimental studies. Computations show that EDA is the best to fixate CO 2 among the tested substrates: the nucleophilic EDA attack on CO 2 is calculated to have a very small energy barrier to overcome (TS1EDA, Δ G ‡ = 1.4 kcal mol −1 ) and form I1EDA (carbamic acid adduct). The formed intermediate is converted to cyclic urea (PEDA, imidazolidin-2-one) via ring closure and dehydration of the concerted transition state (TS2EDA, Δ G ‡ = 32.8 kcal mol −1 ). Solvation model analysis demonstrates that nonpolar solvents (hexane, THF) are better for fixing CO 2 with EDA. Attaching electron-donating and -withdrawing groups to EDA does not reduce the energy barriers. Modifying the IL via changing the anion part (HSO 4 − ) central S atom with 6 A and 5 A group elements (Se, P, and As) shows that a Se-based IL can be utilized for the same purpose. Molecular dynamics (MD) simulations reveal that the IL ion pairs can hold substrates and CO 2 molecules via noncovalent interactions to ease nucleophilic attack on CO 2 . 

This work combines spectroscopic and photometric data of the polluted white dwarf WD 0141−675, which has a now retracted astrometric super-Jupiter candidate, and investigates the most promising ways to confirm Gaia astrometric planetary candidates and obtain follow-up data. Obtaining precise radial velocity measurements for white dwarfs is challenging due to their intrinsic faint magnitudes, lack of spectral absorption lines, and broad spectral features. However, dedicated radial velocity campaigns are capable of confirming close-in giant exoplanets (a few MJup) around polluted white dwarfs, where additional metal lines aid radial velocity measurements. Infrared emission from these giant exoplanets is shown to be detectable with JWST Mid-Infrared Instrument (MIRI) and will provide constraints on the formation of the planet. Using the initial Gaia astrometric solution for WD 0141−675 as a case study, if there were a planet with a 33.65 d period or less with a nearly edge-on orbit, (1) ground-based radial velocity monitoring limits the mass to <15.4 MJup, and (2) space-based infrared photometry shows a lack of infrared excess and in a cloud-free planetary cooling scenario, a substellar companion would have to be <16 MJup and be older than 3.7 Gyr. These results demonstrate how radial velocities and infrared photometry can probe the mass of the objects producing some of the astrometric signals, and rule out parts of the brown dwarf and planet mass parameter space. Therefore, combining astrometric data with spectroscopic and photometric data is crucial to both confirm and characterize astrometric planet candidates around white dwarfs.

 

As part of a comprehensive effort to characterize the nearest stars, the CHIRON echelle spectrograph on the CTIO/SMARTS 1.5 m telescope is being used to acquire high-resolution (R= 80,000) spectra of K dwarfs within 50 pc. This paper provides spectral details about 35 K dwarfs from five benchmark sets with estimated ages spanning 20 Myr–5.7 Gyr. Four spectral age and activity indicators are tested, three of which aligned with the estimated ages of the benchmark groups—the Naidoublet (5889.95 and 5895.92 Å), the Hαline (6562.8 Å), and the Liiresonance line (6707.8 Å). The benchmark stars are then used to evaluate seven field K dwarfs exhibiting variable radial velocities for which initial CHIRON data did not show obvious companions. Two of these stars are estimated to be younger than 700 Myr, while one exhibits stellar activity unusual for older K-dwarf field stars and is possibly young. The four remaining stars turn out to be spectroscopic binaries, two of which are being reported here for the first time with orbital periods found using CHIRON data. Spectral analysis of the combined sample of 42 benchmark and variable radial velocity stars indicates temperatures ranging from 3900 to 5300 K and metallicities from −0.4 < [Fe/H] < +0.2. We also determine$\log g=4.5–4.7$for main-sequence K dwarfs. Ultimately, this study will target several thousand of the nearest K dwarfs and provide results that will serve present and future studies of stellar astrophysics and exoplanet habitability.

 

Westerlund 1 (Wd 1) is one of the most massive young star clusters in the Milky Way. Although relevant for star formation and evolution, its fundamental parameters are not yet very well constrained. We aim to derive an accurate distance and provide constraints on the cluster age. We used the photometric and astrometric information available in the Gaia Early Data Release 3 (Gaia-EDR3) to infer its distance of 4.06$^{+0.36}_{-0.34}$ kpc. Modelling of the eclipsing binary system W36, reported in Paper II, led to the distance of 4.03 ± 0.25 kpc, in agreement with the Gaia-EDR3 distance and, therefore, validating the parallax zero-point correction approach appropriate for red objects. The weighted average distance based on these two methods results in dwd1  =  4.05 ± 0.20 kpc (m − M  =  13.04$^{+0.11}_{-0.12}$ mag), which has an unprecedented accuracy of 5 per cent. Using the Binary Population and Spectral Synthesis (BPASS) models for the Red Supergiants with solar abundance, we derived an age of 10.7 ± 1 Myr, in excellent agreement with recent work by Beasor & Davies (10.4$^{+1.3}_{-1.2}$ Myr) based on MIST evolutionary models. In Paper II, W36B was reported to be younger than 7.1 Myr, supporting recent claims of a temporal spread of several Myrs for the star-forming process within Wd 1 instead of a single monolithic starburst episode scenario.

 

Westerlund 1 (Wd 1) is one of the most relevant star clusters in the Milky Way to study massive star formation, although it is still poorly known. Here, we used photometric and spectroscopic data to model the eclipsing binary W36, showing that its spectral type is O6.5 III  +  O9.5 IV, hotter and more luminous than thought before. Its distance dW36 = 4.03 ± 0.25 kpc agrees, within the errors, with three recent Gaia-EDR3-based distances reported in Paper I, Beasor & Davies, and by Negueruela’s group. However, they follow different approaches to fix the zero-points for red sources such as those in Wd 1, and to select the best approach, we used an accurate modelling of W36. The weighted mean distance of our parallax (Paper I) and binary distances results in dwd1 = 4.05 ± 0.20 kpc, with an unprecedented accuracy of 5 per cent. We adopted isochrones based on the Geneva code with supersolar abundances to infer the age of W36B as 6.4 ± 0.7 Myr. This object seems to be part of the prolific star formation burst represented by OB giants and supergiants that occurred at 7.1 ± 0.5 Myr ago, which coincides with the recently published PMS isochrone with age 7.2 Myr. Other BA-type luminous evolved stars and yellow hypergiants spread in the age range of 8–11 Myr. The four red supergiants discussed in paper I represent the oldest population of the cluster with an age of 10.7 ± 1 Myr. The multiple episodes of star formation in Wd 1 are reminiscent of that reported for the R136/30 Dor LMC cluster.

 

Abstract We present the detection of neutral helium at 10833 Å in the atmosphere of WASP-52b and tentative evidence of helium in the atmosphere of the grazing WASP-177b, using high-resolution observations acquired with the NIRSPEC instrument on the Keck II telescope. We detect excess absorption by helium in WASP-52b’s atmosphere of 3.44% ± 0.31% (11 σ ), or equivalently 66 ± 5 atmospheric scale heights. This absorption is centered on the planet’s rest frame (Δ v = 0.00 ± 1.19 km s −1 ). We model the planet’s escape using a 1D Parker wind model and calculate its mass-loss rate to be ∼1.4 × 10 11 g s −1 , or equivalently 0.5% of its mass per gigayear. For WASP-177b, we see evidence for redshifted (Δ v = 6.02 ± 1.88 km s −1 ) helium-like absorption of 1.28% ± 0.29% (equal to 23 ± 5 atmospheric scale heights). However, due to residual systematics in the transmission spectrum of similar amplitude, we do not interpret this as significant evidence for He absorption in the planet’s atmosphere. Using a 1D Parker wind model, we set a 3 σ upper limit on WASP-177b’s escape rate of 7.9 × 10 10 g s −1 . Our results, taken together with recent literature detections, suggest the tentative relation between XUV irradiation and He i absorption amplitude may be shallower than previously suggested. Our results highlight how metastable helium can advance our understanding of atmospheric loss and its role in shaping the exoplanet population.