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P. Caselli

Publications and source records attributed to P. Caselli.

At least 19 recordsLinked to original sources

Ammonia Fitting of Multiple Velocity Components in High-Mass Star-Forming Regions

We perform a multiple velocity component analysis of ammonia (NH$_3$) gas from KEYSTONE, a Green Bank Telescope survey covering 11 giant molecular clouds (GMCs) at distances from 0.7 to 2.7 kpc. We extend existing codes to enable simultaneous fitting of up to three velocity components in NH$_3$ (1,1) with radiative transfer. Using our multiple component fitting technique, we produce the best maps of the centroid velocity and velocity dispersion in these clouds to date. Over the entire survey, multiple velocity components were seen in 13% of pixels where we detect and fit NH$_3$ emission, primarily in clusters at the heart of the GMCs. In these multiple component pixels, the median measured NH$_3$ linewidth decreased by a factor of 1.4 compared to equivalent single-component measurements, but there are also significant cloud-to-cloud variations. Regions with multiple velocity components tend to be found in the densest zones of the GMCs and at the sites of high-mass star formation, indicative of multiple filaments, cores, or complex velocities associated with the formation of massive stars. Disentangling these velocity features will allow future quantitative analysis of coherent motions, such as infall and outflow, in these complex environments. The multi-component data products are available on the CADC.

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CHemical Evolution in MassIve star-forming COres (CHEMICO). II. Molecular ions, electron fraction, and cosmic-ray ionisation rate

Molecular ions are crucial in initiating and regulating the formation of molecules in the interstellar medium, and are expected to be sensitive tracers of evolution in star-forming regions. Within the framework of the project `CHemical Evolution of MassIve star-forming COres' (CHEMICO), we investigate the temporal evolution of molecular ions towards three high-mass star-forming cores that represent three sequential evolutionary stages. CHEMICO is based on an unbiased spectral line survey of the bandwidth at 3, 2, and 1.2~mm carried out with the 30m telescope of the Insitut de Radioastronomie millimétrique. We detect 19 molecular ions, including isotopologues. From a local thermodynamic equilibrium analysis, we derive the following main results: (i) Overall, the physical parameters of sulphur-bearing ions are the most sensitive to evolution, whereas those of nitrogen-bearing ions are the least; (ii) The molecular abundances that exhibit the most pronounced temporal variations are those of SO+, DCO+, and N2D+; (iii) A simple analytic approach tailored for warm gas conditions provides cosmic-ray ionisation rates of H2 several orders of magnitude above the canonical values measured in the interstellar medium and with a marked increase with evolution; (iv) The abundance ratio of protonated-to-neutral species increases with the proton affinity of the neutral regardless of the evolutionary stage of the source, indicating that proton-transfer appears to proceed similarly in both cold and warm interstellar environments. Molecular ions exhibit distinct evolutionary trends in high-mass star-forming regions, with sulphur-bearing species and the abundances of N2D+, DCO+, and SO+ emerging as particularly sensitive tracers of evolution. Measured electron fractions and cosmic-ray ionisation rates are in line with an internal production of cosmic-rays that becomes increasingly efficient with time.

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Cracking open the "dragon egg": ALMA 1.3mm observations of a compact, young high-mass core candidate at 30mas resolution

Massive prestellar cores are a central assumption of core-accretion models of high-mass star formation, yet convincing observational examples remain rare. The "dragon egg" (C2c1a) core in the infrared-dark cloud G028.37+00.07 has been proposed as a promising compact high-mass core candidate. We present new ALMA Band 6 observations at $0.035''$-$0.078''$ ($\sim175$-400 au at 5 kpc), providing one of the most stringent high-resolution tests of such a candidate. The region resolves into multiple fragments, but the brightest component, C2c1a(a), remains a single compact continuum peak down to $\sim175$ au, with a deconvolved radius of $\sim87$ au and a nearest neighbouring fragment at a projected separation of $\sim2400$ au. The continuum peak reaches a brightness temperature of $\sim40$ K, exceeding the $\sim10$ K gas temperatures inferred from lower-resolution NH$_3$ observations and indicating a strong radial temperature gradient. Continuum-based mass estimates range from $\sim2$ to $\sim30$ $M_\odot$ (implying extreme densities of $n_\mathrm{H2} > 10^9$cm$^{-3}$), depending on temperature, while lower-resolution data indicate a much larger mass reservoir of $\sim110$ $M_\odot$ on $\sim10^4$ au scales. The spectrum shows no strong hot-core tracers and only weak, spatially extended H$_2$CO and CO emission; no high-velocity outflow can be unambiguously associated with C2c1a(a). We conclude that C2c1a(a) is an exceptionally compact core embedded within a massive cold reservoir, with no additional compact fragments detected within the present resolution and sensitivity limits, potentially tracing the earliest formation of a central protostellar "seed" within a still-dominant reservoir. [abridged]

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Corona Australis 151: an extremely young protostar

Context. Prestellar cores are the birthplace of stars and planetary systems, but they are short-lived objects, since the initial stages of dense core evolution, collapse, and the formation of a protostellar seed are fast. In an effort to build a catalogue of bona-fide prestellar cores in the Solar neighbourhood, we used APEX observations to identify dynamically evolved cores among dense cores observed with Herschel. One of them, Corona Australis 151, stood out because of its centrally peaked structure, with densities above 1e7cm-3 in the central 500-1000 au, and high deuteration levels (N2D+/N2H+~0.5), suggestive of an evolved, prestellar stage. Aims. Corona Australis 151 appears to be an evolved prestellar core, but the presence of broad wings in some of the detected lines and a tentative 70micron detection with Herschel partially challenges its prestellar stage. We intend to assess its evolutionary stage. Methods. We analyse new ALMA data of the continuum emission and of several line tracers (including typical outflow tracers) at a resolution of~150-200au, tracing the envelope. Results. We unveil the presence of a compact and young outflow (projected dynamical age:~500yr), traced by SiO, CO, and H2CO emission. The continuum emission traces an envelope structure of size~1000 au and mass 0.33M_sun(assuming Tdust=20 K). Conclusions. Corona Australis 151 is an extremely young protostar, possibly one of the youngest known in the Solar neighbourhood, and hence a new laboratory to study the chemical and dynamical evolution at the dawn of star formation.

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Can diffuse X-rays be important in driving photoionisation in molecular clouds?

The ionisation balance in molecular clouds is regulated by several ionising sources, including cosmic rays, X-rays, and ultraviolet radiation. Their relative importance depends on the local physical conditions and on the shielding column density. We compute the contribution of the large-scale diffuse X-ray radiation field to the ionisation in molecular clouds in the absence of strong local X-ray sources, such as young stars. Our goal is to quantify its significance relative to the Galactic cosmic rays. Using measurements of diffuse X-ray emission from the first eROSITA all-sky survey, we estimate the depth-dependent X-ray ionisation rate in molecular clouds across different Galactic environments. We consider both the observed diffuse field and a deabsorbed field obtained by correcting for foreground Galactic attenuation using HI4PI line-of-sight column densities in a pixel-by-pixel framework. Diffuse Galactic X-rays are unlikely to dominate the ionisation balance in well-shielded molecular gas ($N_{\mathrm{H}} > 5 \times 10^{21} \mathrm{cm^{-2}}$), where cosmic rays remain the primary ionising agent. At low column densities, the deabsorbed diffuse X-ray field produces ionisation rate of $ζ_X \sim 10^{-18}\mathrm{s^{-1}}$ at $N_{\mathrm H} \sim 10^{19}\mathrm{cm^{-2}}$, remaining below the lower end of Galactic cosmic ray ionisation rate ($\sim 10^{-17} \mathrm{s^{-1}}$). The X-ray contribution decreases rapidly with increasing shielding, falling to $ζ_{X}\sim10^{-19}\mathrm{s^{-1}}$ by $N_{\rm H}\sim10^{21}\mathrm{cm^{-2}}$ and to $ζ_X \sim5\times10^{-21}\mathrm{s^{-1}}$ by $N_{\rm H}\sim10^{22}\mathrm{cm^{-2}}$. Diffuse X-ray may therefore contribute to the thermal and chemical structure of low-extinction material and should be considered when interpreting ionisation tracers in diffuse or cloud-envelope environments.

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End-to-end differentiable retrieval of molecular spectra using hydrodynamics, chemistry, and radiative transfer

We aim to reproduce observed molecular line emission using a pipeline that couples hydrodynamics, chemistry, and radiative transfer, capable of simultaneously optimizing all relevant physical and chemical parameters. We developed an end-to-end differentiable Jax pipeline consisting of a custom hydrodynamical code, a modified version of the differentiable chemical code Carbox, and a custom radiative transfer code. We tested the framework using controlled synthetic data. We demonstrate that the framework can recover the parameters of hydrodynamical shock models directly from molecular line spectra and optimize selected chemical reaction rate coefficients through gradient-based optimization. The differentiable formulation enables efficient optimization of the coupled physical and chemical model while preserving the full time-dependent evolution.

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Low cosmic-ray ionisation at parsec scales in G035.39-00.33

Cosmic rays (CRs) regulate the chemical evolution of the gas and its coupling to the magnetic field in the densest and coldest regions of the interstellar medium (ISM). However, the CR ionisation rate of H$_2$ ($ζ_2$) is one of the most debated parameters characterising molecular clouds due to the uncertainties in its estimation. We developed a new analytical framework based on the chemistry of N$_2$H$^+$, N$_2$D$^+$ and DCO$^+$ to overcome observational limitations in current estimates of $ζ_2$ and to probe the latter and the electron fraction, $x(e)$, in the gas across multiple density regimes. We applied this method towards the parsec-scale filament of the infrared dark cloud (IRDC) G035.39-00.33 with new observations from the NOrthern Extended Array (NOEMA) at a resolution of $3''$ (or $\sim9000$ au). Ancillary observations of C$^{18}$O complete this survey to measure $x(e)$ and $ζ_2$ in G035.39-00.33. CO depletion is widespread in G035.39-00.33 with factors, $f_\mathrm{D}$, positively correlated with column and number densities of H$_2$ in the cloud. The deuterium fractions ($R_\mathrm{D}$) are enhanced towards these same sites in which the corresponding electron fraction values cluster below $\lesssim10^{-8}$. $ζ_2$ varies by three orders of magnitude in G035.39-00.33 ($\sim10^{-18}-10^{-15}$ s$^{-1}$) with a median of $\sim2.3\times10^{-18}$ s$^{-1}$, consistent with those reported for other IRDCs and giant filaments, but on average lower than the typical $ζ_2$ for the ISM. $ζ_2$ shows a functional dependence on $N(\mathrm{H_2})$, but with absolute values lower compared to those predicted by theoretical models. This behaviour suggests the presence of an overall attenuation of the CR flux taking place in G035.39-00.33. The CR flux appears to be reduced by the change in magnetic field strength and morphology previously reported in the region.

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Optical constants of Ih, Ic, and amorphous H$_2$O ices in the THz and IR ranges

Direct measurements of optical constants in the THz spectral region for astrophysically relevant H$_2$O ice samples are scarce. Extrapolation of optical properties in the THz spectral region from IR data can introduce uncertainties into astrophysical models. We measured the optical properties of water ice samples in the Ih and Ic forms as well as amorphous solid water (ASW) in the THz region in order to derive broad optical constants using literature and experimental data in the THz-IR range. In our experiments, the Ih, Ic, and ASW ices were grown by vapour deposition onto a cold substrate and measured by THz pulsed spectroscopy. Their THz optical properties were retrieved, compared with the THz-IR literature data, and approximated using the multiple-Lorentz model. From the existing literature data on the Ih, Ic, and ASW ices, we selected samples with the highest optical constants and classified them as compact. Their optical properties were merged in the frequency range of $ν= 0.3$-$120$~THz (the wavelength range of $λ= 1$~mm-2.5$~μ$m). The underlying absorption bands were attributed to vibrational modes and approximated using the multiple-Lorentz model while accounting for anharmonicity. Discrepancies primarily arising in low-absorption regions between the experimental data and broadband models were attributed to factors such as the model's complexity and the baseline-subtraction procedure. The THz response of all ices is formed by the low-frequency wings of the IR bands and the single broad low-intense THz peak around $1.8$~THz, which is very similar for all phases. The opacity calculation for dust grains covered by H$_2$O ice mantles based on experimental data shows discrepancies with data derived by extrapolation. The inferred THz-IR optical constants of water ice are important for future observations and modelling of cold clouds and protoplanetary disks.

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FAUST XXXI. Grain properties and variability of three sources in GSS 30

To advance our understanding of dust properties in class 0/I young stellar objects, it is crucial to resolve their structures at multiple wavelengths and investigate how grain growth and environmental effects shape their spectral properties. We present 0.5 arcsec resolution ALMA observations of the GSS 30 complex at 1.2-3.0 mm from the FAUST large programme, achieving a linear resolution of 69 au. We analyse the dust continuum emission and perform modelling to constrain dust properties and disk structures. For IRS3, the spectral index increases radially from 2.0 at the centre to 2.5 at the disk edge, while decreasing to 1.6-1.8 along the outflow direction. The asymmetric low-alpha region towards the northeastern blueshifted lobe may result from cold outer envelope dust obscuring warmer inner regions. SED fitting suggests maximum grain sizes of tens of microns and a dust mass of 650-1510 M_earth. IRS1 is associated with an extended north-eastern structure, which may represent an outflow-disk complex, a trailing structure linked to a circumbinary disk, or a gas streamer accreting onto IRS1. The central IRS1 shows alpha < 0.8, consistent with marginally optically thick free-free emission. IRS2 displays brightness variations over 420 s, and multi-epoch comparison suggests a flare lasting tens of minutes, likely caused by magnetic activity in the protostar. Our results highlight the importance of environmental effects, including dust obscuration and streamer structures, in shaping the observed properties of young disks, and reveal millimetre variability associated with possible protostellar magnetic flares.

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Tracing the sulfur depletion in starless and pre-stellar cores

Sulfur is one of the most abundant elements in the Universe, yet the sulfur budget inferred from the observed sulfur-bearing molecules in dense cores is significantly lower than expected. Starless and pre-stellar cores represent the earliest stages of star formation and provide a laboratory for studying the physical and chemical processes that cause sulfur depletion. We aim to constrain sulfur chemistry in dense cores by measuring abundances of sulfur-bearing molecules and how they reflect core evolution and environmental effects. We observed nine cores in the Taurus Molecular Cloud, targeting 13 sulfur-bearing molecules, including CS, CCS, C$_3$S, OCS, SO, SO$_2$, H$_2$CS, and isotopologs. Molecular abundances and six abundance ratios were compared to three evolutionary tracers: H$_2$ column density, N$_2$D$^+$/N$_2$H$^+$, and the CO depletion factor. We also compared observations with 0D chemical models with different initial sulfur abundances. We find variations in abundances across cores. L1517B exhibits low abundances and a high depletion factor, whereas L1495B shows enhanced levels in oxygen-bearing species within the L1495 filament. Ratios tracing carbon- and oxygen-bearing species (CCS/$^{34}$SO and C$^{34}$S/$^{34}$SO) decrease with increasing H$_2$ column density and N$_2$D$^+$/N$_2$H$^+$ ratio. Other species and ratios show weak or no correlation with tracers. Models reproduce OCS, H$_2$CS, and HDCS reasonably well, but not all species simultaneously, especially between carbon- and oxygen-bearing molecules. The variations and lack of consistent correlations suggest that a single evolutionary parameter cannot describe sulfur chemistry and that the local environmental conditions strongly influence the observed abundances. Reproducing the full sample of sulfur-bearing molecules would require improved chemical networks and models that account for the core's physical structure.

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A 3D physico-chemical model of a pre-stellar core. II. Dynamic chemical evolution in a pre-stellar core model using tracer particles

This work explores the differences between static and dynamically evolving physico-chemical models of pre-stellar cores. A 3D MHD model of a pre-stellar core embedded in a dynamic star-forming cloud is post-processed using sequentially dust radiative transfer, a gas-grain chemical model, and a non-LTE line-radiative transfer model. The chemical evolution is modeled along $\sim$20,000 tracer particle trajectories to capture the impact of a realistic dynamical evolution as the core is formed. The emission morphology of CH$_3$OH and $c$-C$_3$H$_2$ and the intensities of CH$_3$OH, $c$-C$_3$H$_2$, CS, SO, HCN, HCO$^+$ and N$_2$H$^+$ are compared with observations of L1544. Our results show a distinct difference in chemical morphology between the dynamical and static models. The dynamical model reproduces the observed spatial distribution of CH$_3$OH and $c$-C$_3$H$_2$ toward L1544, whereas the static model fails to reproduce this morphology. In contrast, when comparing modeled and observed intensities across a broad range of molecules, the static model shows good agreement with observations for L1544. The dynamical model systematically predicts lower abundances and modeled intensities for six of the seven species presented here. For sulphur-bearing species, the intensities are in better agreement with observations when the initial abundances are undepleted in heavier elements. This study reveals distinct differences between dynamical and static physico-chemical models. The static model predicts higher abundances and intensities for the majority of the molecules studied here, compared with the dynamical model. This discrepancy may stem from the specific choices of initial conditions, which could limit the dynamical models ability to fully capture the physical and chemical history. The intensities predicted by the static model are comparable to those observed toward L1544.

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Gas chemistry in the dust depleted inner regions of protoplanetary disks. I. Near-IR spectra and overtones

The molecular composition inside the dust sublimation zones of protoplanetary disks is mostly unknown but important to understanding terrestrial planet formation. A few molecules have been observed from this region, specifically CO, H2O, OH and SiO. The small surface area makes observing this region difficult, hence modeling is required to disentangle the innermost disk from regions further out. We model a protoplanetary disk around a Herbig-type star including the dust depleted inner region (approx. 0.1-0.3 au) and aim to investigate the chemistry of this region and explain existing and future observations. Methods. We post-process the dust and gas distribution of a magnetohydrostatic model with the radiation thermochemical code ProDiMo to study the chemistry and to produce observables. We find that the dust free inner disk is a molecular rich environment, where besides CO we also find H2, H2O and SiO. The gas temperature profile is complex and fluctuates between 700 and 2000 K, which is warm enough to produce CO overtone line emission. Next to the CO overtone lines we also find strong high J-level fundamental CO lines between 4.3 and 4.6 micron. The elemental enrichment of Si due to dust sublimation leads to 2 orders of magnitude more SiO abundance. The SiO gas has average temperatures of approx. 1000 K resulting in strong SiO overtone emission in the spectral range between 4 and 4.3 micron. We predict that the gas density in the dust depleted inner disk is high enough to allow for H2 formation, resulting in an molecular rich environment. For our representative Herbig model, the dust-depleted inner disk is responsible for at least 90% of the line emission for CO and H2O between 1 and 28 micron. Next to CO overtone lines, SiO overtone lines are expected to be an important tracer of a dust free inner disk.

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A differentiable and optimizable 3D model for interpretation of observed spectral data cubes

Molecular spectral cubes of prestellar cores encode the information on the physical and chemical properties of these objects along the line of sight. To retrieve this information, we need an interpretable model that reproduces the observed spectra. We designed a differentiable 3D geometrical model that produces synthetic observations from the parameterized density and velocity fields, and that can be efficiently optimized to reproduce the real data cubes. The model has been applied to p-NH2D and N2D+ spectral cubes in the prestellar core L1544. The optimized model suggests that to reproduce the observed velocity difference between p-NH2D and N2D+ in L1544, an asymmetric structure in density and velocity is necessary.

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PRODIGE - envelope to disk with NOEMA: VII. (Complex) organic molecules in the NGC1333 IRAS4B1 outflow: A new laboratory for shock chemistry

Shock chemistry is an excellent tool to shed light on the formation and destruction mechanisms of complex organic molecules (COMs). The L1157-mm outflow is the only low-mass protostellar outflow that has extensively been studied in this regard. Using the data taken as part of the PRODIGE (PROtostars & DIsks: Global Evolution) large program, we aim to map COM emission and derive the molecular composition of the protostellar outflow driven by the Class 0 protostar NGC1333 IRAS4B1 to introduce it as a new laboratory to study the impact of shocks on COM chemistry. In addition to typical outflow tracers such as SiO and CO, outflow emission is seen from H2CO, HNCO, and HC3N, as well as from the COMs CH3OH, CH3CN, and CH3CHO, and even from deuterated species such as DCN, D2CO, and CH2DOH. Maps of integrated intensity ratios between CH3OH and DCN, D2CO, and CH3CHO reveal gradients with distance from the protostar. Intensity ratio maps of HC3N and CH3CN with respect to CH3OH peak in the southern lobe where temperatures are highest. Rotational temperatures derived towards two positions, one in each lobe, are found in the range ~50-100 K. Abundances with respect to CH3OH are higher by factors of a few than for the L1157-B1. In conclusion, for the first time, we securely detected the COMs CH3CN, CH3CHO, and CH2DOH in the IRAS 4B1 outflow, serendipitously with limited sensitivity and bandwidth. Targeted observations will enable the discovery of new COMs and a more detailed analysis of their emission. Morphological differences between molecules in the IRAS 4B1 outflow lobes and their relative abundances provide first proof that this outflow is a promising new laboratory for shock chemistry, which will offer crucial information on COM formation and destruction as well as outflow structure and kinematics.

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Deuteration of HC3N and CH3CCH in the pre-stellar core L1544

Deuterated molecules are a useful diagnostic tool to probe the evolution and the kinematics in the earliest stages of star formation. Due to the low temperatures and high densities in the centre of pre-stellar cores, the deuterium fraction is enhanced by several orders of magnitude. We study the distribution of the emission and the deuteration of the two carbon chains HC3N and CH3CCH throughout the pre-stellar core L1544. We analyse emission maps of CH3CCH, CH2DCCH, CH3CCD, HC3N, HCC13CN, and DC3N, observed with the IRAM 30m single-dish radio telescope. We use non-LTE radiative transfer calculations, combined with chemical modelling of the molecular abundances, to constrain physical parameters of the observed species. Following this, we derive the column density and deuteration maps. We find D-fractions of N(DC3N)/N(HC3N)=0.04-0.07, N(CH2DCCH)/N(CH3CCH)=0.09-0.15, and N(CH3CCD)/N(CH3CCH)=0.07-0.09. The deuteration of HC3N appears homogeneous across the core, with widespread D-fraction values above 0.06, tracing intermediate-density gas in the outer layers of the core. CH3CCD is most efficiently formed in the higher-density regions towards the core centre, while the D-fraction of CH2DCCH traces a local density enhancement in the north-east of the core, coinciding with the CH3OH emission peak. The results suggest that gas-phase reactions dominate the formation and deuteration of both HC3N and CH3CCH in L1544, with spatial variations driven by physical structure, density and external radiation. The significantly higher D-fraction of CH2DCCH compared to CH3CCD and a tentative gradient with higher values in the north suggest different deuteration mechanisms for the two functional groups. Similarities between the CH2DCCH emission and CH2DOH might indicate an additional deuteration pathway of CH3CCH on the surfaces of dust grains, as observed for H2CO.

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The ExoGRAVITY survey: A K-band spectral library of giant exoplanet and brown dwarf companions

Direct observations of exoplanet and brown dwarf companions with near-infrared interferometry, first enabled by the dual-field mode of VLTI/GRAVITY, provide unique measurements of the objects' orbital motions and atmospheric compositions. Here, we compile a homogeneous library of all exoplanet and brown dwarf K-band spectra observed by GRAVITY thus far. We re-reduced all the available GRAVITY dual-field high-contrast data and, where companions are detected, extract their ~2.0-2.4 $μ$m K-band contrast spectra. We then derived stellar model atmospheres for all employed flux references, which we used to convert the companion contrast into companion flux spectra. Solely from the resulting GRAVITY spectra, we extracted spectral types, spectral indices, and bulk physical properties for all companions. Finally, and with the help of age constraints from the literature, we also derived isochronal masses for most companions using evolutionary models. The resulting library contains R ~ 500 GRAVITY spectra of 39 substellar companions from late M to late T spectral types, including the entire L-T transition. Throughout this transition, a shift from CO-dominated late M- and L-type dwarfs to CH4-dominated T-type dwarfs can be observed in the K-band. The GRAVITY spectra alone constrain the objects' bolometric luminosity to typically within $\pm$0.15 dex. The derived isochronal masses agree with dynamical masses from the literature where available, except for HD 4113 c for which we confirm its previously reported potential underluminosity. Medium-resolution spectroscopy of substellar companions with GRAVITY provides insight into the carbon chemistry and the cloudiness of these objects' atmospheres. It also constrains these objects' bolometric luminosities which can yield measurements of their formation entropy if combined with dynamical masses, for instance from Gaia and GRAVITY astrometry.

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New Estimate for the Cosmic Ray-Induced $\rm H_2$ Photodissociation Rate in the Interstellar Medium

In the interstellar medium, cosmic rays (CRs) generate a field of ultraviolet (UV) photons via the excitation and subsequent radiative decay of $\rm H_2$ molecules. This UV field is a major agent of ionization and dissociation in the inner regions of molecular clouds that are shielded from the effects of the interstellar radiation field. In particular, the dissociation of $\rm H_2$, by far the most abundant molecule in interstellar clouds, leads to the production of atomic hydrogen which then takes part in the production of a multitude of molecules, in particular complex organics on the surfaces of interstellar dust grains. Precise knowledge of the rates of CR-induced dissociation processes is thus crucial for constructing reliable chemical models. For the present paper, we have derived a new value of $k_{\rm diss, CR}(\mbox{$\rm H_2$})=0.831ζ$ for the rate of $\rm H_2$ dissociation, where $ζ$ is the CR ionization rate of $\rm H_2$. This prediction contrasts a previous value from the Leiden database which overestimated the rate due to an inconsistent treatment of the $\rm H_2$ abundances and photodissociation cross sections. By running a series of chemical models, we show that the overestimated dissociation rate has a large effect on the results of chemical simulations, with the abundance of methanol being overestimated by over one order of magnitude. Hence, we strongly recommend the adoption of our new estimate $k_{\rm diss, CR}(\mbox{$\rm H_2$})=0.831ζ$ in all chemical models that include this process. Our newly derived value corresponds to $\rm H_2$ being purely in the para form ($J^{\prime\prime} = 0$). However, in the interiors of molecular clouds the $\rm H_2$ ortho-to-para ratio is low and using the rate for para-$\rm H_2$ is an adequate approximation.

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High deuteration of methanol in L1544

Isotopic fractionation is a very powerful tool to follow the evolution of material from one stage to the next in the star-formation process. Pre-stellar cores exhibit some of the highest levels of deuteration because their physical conditions greatly favor deuteration processes. Deuteration maps are a measure of the effectiveness of the deuteration across the core, and they are useful to study both the deuteration as well as the formation mechanism of the main species. Methanol is the simplest O-bearing complex organic molecule (COM) detected in the interstellar medium (ISM). It represents the beginning of molecular complexity in star-forming regions, thus a complete understanding of its formation and deuteration is a necessary step to understand the development of further chemical complexity. In this paper, we use single-dish observations with the IRAM 30 m telescope and state-of-the-art chemical models to investigate the deuteration of methanol towards the prototypical pre-stellar core L1544. We also compare the results of the chemical models with previous observations of deuterated methanol towards the pre-stellar cores HMM1 and L694-2. The spectra extracted from the CHD$_2$OH map show that the emission is concentrated in the center and towards the north-west of the core. Using deep observations towards the dust and the methanol peaks of the core, we derive a very large deuterium fraction for methanol ($\sim20\%$) towards both peaks. The comparison of our observational results with chemical models has highlighted the importance of H-abstraction processes in the formation and deuteration of methanol. Deep observations combined with state-of-the-art chemical models are of fundamental importance in understanding the development of molecular complexity in the ISM. Our analysis also shows the importance of non-LTE effects when measuring the D/H ratios in methanol.

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