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Understanding the formation of carbonyl sulfide (OCS) in interstellar ices is key to constrain the sulfur chemistry in the interstellar medium (ISM), since it is the only ice S-bearing molecule securely detected thus far. Two general pathways for OCS formation have been proposed: sulfurization of CO (CO+S) and oxidation of CS (CS+O), but their relative contribution in interstellar ices remains unconstrained. We have evaluated the contribution of both pathways to OCS formation upon energetic processing in isotopically-labeled CO2:CS2 and CO:CS2 ice samples at 7-50 K. Our results indicated that formation of OCS through the CS+O pathway was more favorable than through the CO+S pathway, as previously suggested by theoretical calculations. In addition, its relative contribution increased at higher temperatures. Therefore, this pathway could play a role in the ice formation of OCS, especially in warm regions where CO is expected to be preferentially in the gas phase. At the same time, we have explored the chemistry of CS2-bearing, CO2-, CO-, and also H2O-rich ices, that could be relevant to the sulfur interstellar chemistry. We observed formation of a variety of S-bearing products in addition to OCS, including SO2, C3S2, and S2. However, a significant fraction of sulfur was not detected at the end of the experiments, and could be locked in long, undetectable sulfur allotropes, one of the potential carriers of the missing sulfur in the dense ISM.

In the denser and colder regions of the interstellar medium (ISM), gas-phase sulfur is depleted by 2 or 3 orders of magnitude with respect to its cosmic abundance. Thus, which species are the main carriers of sulfur is an open question. Recent studies have proposed S$_n$ species as potential sulfur reservoirs. Among the various sulfur allotropes, the most stable one is the S$_8$ ring, detected in the asteroid Ryugu and Orgueil meteorite. Shorter species, namely S$_3$ and S$_4$, have been found in the comet 67P/C-G, but their presence in the ISM remains elusive. In this study, we compute the binding energies (BEs) of S$_n$ (n = 1-8) species on an amorphous water-ice surface model and analyze their infrared (IR) and Raman spectral features to provide data for their identification in the ISM. Our computations reveal that these species exhibit lower BEs than previously assumed and that their spectral features experience minimal shifts when adsorbed on water ice, because of the weak and nonspecific S$_n$-ice interactions. Furthermore, these species display very low IR band intensities and, therefore, very accurate instruments operating in the mid-IR range are required for detecting the presence of these species in dense interstellar environments., Comment: 15 pages, 4 figures, published in The Astrophysical Journal

One of the main problems in astrochemistry is determining the amount of sulfur in volatiles and refractories in the interstellar medium. The detection of the main sulfur reservoirs (icy H$_2$S and atomic gas) has been challenging, and estimates are based on the reliability of models to account for the abundances of species containing less than 1% of the total sulfur. The high sensitivity of the James Webb Space Telescope provides an unprecedented opportunity to estimate the sulfur abundance through the observation of the [S I] 25.249 $\mu$m line. We used the [S III] 18.7 $\mu$m, [S IV] 10.5 $\mu$m, and [S l] 25.249 $\mu$m lines to estimate the amount of sulfur in the ionized and molecular gas along the Orion Bar. For the theoretical part, we used an upgraded version of the Meudon photodissociation region (PDR) code to model the observations. New inelastic collision rates of neutral atomic sulfur with ortho- and para- molecular hydrogen were calculated to predict the line intensities. The [S III] 18.7 $\mu$m and [S IV] 10.5 $\mu$m lines are detected over the imaged region with a shallow increase (by a factor of 4) toward the HII region. We estimate a moderate sulfur depletion, by a factor of $\sim$2, in the ionized gas. The corrugated interface between the molecular and atomic phases gives rise to several edge-on dissociation fronts we refer to as DF1, DF2, and DF3. The [S l] 25.249 $\mu$m line is only detected toward DF2 and DF3, the dissociation fronts located farthest from the HII region. The detailed modeling of DF3 using the Meudon PDR code shows that the emission of the [S l] 25.249 $\mu$m line is coming from warm ($>$ 40 K) molecular gas located at A$_{\rm V}$ $\sim$ 1$-$5 mag from the ionization front. Moreover, the intensity of the [S l] 25.249 $\mu$m line is only accounted for if we assume the presence of undepleted sulfur., Comment: 16 pages, 6 figures. Accepted for publication in Astronomy and Astrophysics

Mid-infrared emission features probe the properties of ionized gas, and hot or warm molecular gas. The Orion Bar is a frequently studied photodissociation region (PDR) containing large amounts of gas under these conditions, and was observed with the MIRI IFU aboard JWST as part of the "PDRs4All" program. The resulting IR spectroscopic images of high angular resolution (0.2") reveal a rich observational inventory of mid-IR emission lines, and spatially resolve the substructure of the PDR, with a mosaic cutting perpendicularly across the ionization front and three dissociation fronts. We extracted five spectra that represent the ionized, atomic, and molecular gas layers, and measured the most prominent gas emission lines. An initial analysis summarizes the physical conditions of the gas and the potential of these data. We identified around 100 lines, report an additional 18 lines that remain unidentified, and measured the line intensities and central wavelengths. The H I recombination lines originating from the ionized gas layer bordering the PDR, have intensity ratios that are well matched by emissivity coefficients from H recombination theory, but deviate up to 10% due contamination by He I lines. We report the observed emission lines of various ionization stages of Ne, P, S, Cl, Ar, Fe, and Ni, and show how certain line ratios vary between the five regions. We observe the pure-rotational H$_2$ lines in the vibrational ground state from 0-0 S(1) to 0-0 S(8), and in the first vibrationally excited state from 1-1 S(5) to 1-1 S(9). We derive H$_2$ excitation diagrams, and approximate the excitation with one thermal (~700 K) component representative of an average gas temperature, and one non-thermal component (~2700 K) probing the effect of UV pumping. We compare these results to an existing model for the Orion Bar PDR and highlight the differences with the observations., Comment: 26 pages, 12 figures, 3 tables. Submitted to A&A, under review (1st revision)

Most low-mass stars form in stellar clusters that also contain massive stars, which are sources of far-ultraviolet (FUV) radiation. Theoretical models predict that this FUV radiation produces photo-dissociation regions (PDRs) on the surfaces of protoplanetary disks around low-mass stars, impacting planet formation within the disks. We report JWST and Atacama Large Millimetere Array observations of a FUV-irradiated protoplanetary disk in the Orion Nebula. Emission lines are detected from the PDR; modelling their kinematics and excitation allows us to constrain the physical conditions within the gas. We quantify the mass-loss rate induced by the FUV irradiation, finding it is sufficient to remove gas from the disk in less than a million years. This is rapid enough to affect giant planet formation in the disk.

Sulphur depletion in the interstellar medium (ISM) is a long-standing issue, as only 1% of its cosmic abundance is detected in dense molecular clouds (MCs), while it does not appear to be depleted in other environments. In addition to gas phase species, MCs also contain interstellar dust grains, which are irregular, micron-sized, solid aggregates of carbonaceous materials and/or silicates. Grains provide a surface where species can meet, accrete, and react. Although freeze-out of sulphur onto dust grains could explain its depletion, only OCS and, tentatively, SO$_2$ were observed on their surfaces. Therefore, it is our aim to investigate the interaction between sulphur-containing species and the exposed mineral core of the grains at a stage prior to when sulphur depletion is observed. Here, the grain core is represented by olivine nanoclusters, one of the most abundant minerals in the ISM, with composition Mg$_4$Si$_2$O$_8$ and Mg$_3$FeSi$_2$O$_8$. We performed a series of quantum mechanical calculations to characterize the adsorption of 9 S-bearing species, both neutral and charged, onto the nanoclusters. Our calculations reveal that the Fe-S interaction is preferred to Mg-S, causing sometimes the chemisorption of the adsorbate. These species are more strongly adsorbed on the bare dust grain silicate cores than on water ice mantles, and hence therefore likely sticking on the surface of grains forming part of the grain core. This demonstrates that the interaction of bare grains with sulphur species in cloud envelopes can determine the S-depletion observed in dense molecular clouds., Comment: 9 pages, 4 figures, Accepted for publication in Monthly Notices of the Royal Astronomical Society

Forty years ago it was proposed that gas phase organic chemistry in the interstellar medium was initiated by the methyl cation CH3+, but hitherto it has not been observed outside the Solar System. Alternative routes involving processes on grain surfaces have been invoked. Here we report JWST observations of CH3+ in a protoplanetary disk in the Orion star forming region. We find that gas-phase organic chemistry is activated by UV irradiation., Comment: Published in Nature

Water is a key ingredient for the emergence of life as we know it. Yet, its destruction and reformation in space remains unprobed in warm gas. Here, we detect the hydroxyl radical (OH) emission from a planet-forming disk exposed to external far-ultraviolet (FUV) radiation with the James Webb Space Telescope. The observations are confronted with the results of quantum dynamical calculations. The highly excited OH infrared rotational lines are the tell-tale signs of H2O destruction by FUV. The OH infrared ro-vibrational lines are attributed to chemical excitation via the key reaction O+H=OH+H which seeds the formation of water in the gas-phase. We infer that the equivalent of the Earth ocean's worth of water is destroyed per month and replenished. These results show that under warm and irradiated conditions water is destroyed and efficiently reformed via gas-phase reactions. This process, assisted by diffusive transport, could reduce the HDO/H2O ratio in the warm regions of planet-forming disks., Comment: Version submitted to Nature Astronomy

Observational constraints on dust properties in protoplanetary disks are key to better understanding disks' evolution. We continue our exploration of the protoplanetary disk around AB Aur by characterizing its dust properties. We present ALMA observations at 2.2 mm and VLA observations at 6.8 mm. Together with previous ALMA and NOEMA observations at 0.87 and 1.1 mm, these observations are used to compute global spectral index profiles as well as spectral index maps. On the interpretation side, we present the results of a simple isothermal slab model to help constrain dust properties along the ring of continuum emission. We also present results of dust radiative transfer calculations based on a disc-planet hydrodynamical simulation to explain how the azimuthal contrast ratio of the ring emission varies with millimeter wavelength. The spectral energy distribution and the radial profiles of the spectral index indicate that the radiation from the compact source towards the center is not dominated by dust thermal emission, but most likely by free-free emission originating in the radio jet: it constitutes 93% of the emission at 6.8 mm, and 37% at 0.87 mm. The protoplanetary disk has a typical spectral index of 2.3. We estimate a dust disk mass of 8$\rm \times 10^{-5}$ M$\rm _{\odot}$ which, assuming a mean gas-to-dust ratio of 40, gives a total disk mass of 3.2$\rm \times 10^{-3}$ M$\rm _{\odot}$. The azimuthal contrast ratio of the ring outside the millimeter cavity is smaller at 2.2 mm than at 1.1 mm, in agreement with previous findings. The VLA image shows several knots of $5\sigma$ emission all along the ring, which are consistent with the ring emission being nearly axisymmetric at that wavelength. The decrease in the azimuthal contrast ratio of the ring emission from 0.87 to 6.8 mm can be explained by a dust-losing decaying vortex at the outer edge of a planet gap., Comment: 13 pages, 11 figures

(Abridged) We investigate the impact of radiative feedback from massive stars on their natal cloud and focus on the transition from the HII region to the atomic PDR (crossing the ionisation front (IF)), and the subsequent transition to the molecular PDR (crossing the dissociation front (DF)). We use high-resolution near-IR integral field spectroscopic data from NIRSpec on JWST to observe the Orion Bar PDR as part of the PDRs4All JWST Early Release Science Program. The NIRSpec data reveal a forest of lines including, but not limited to, HeI, HI, and CI recombination lines, ionic lines, OI and NI fluorescence lines, Aromatic Infrared Bands (AIBs including aromatic CH, aliphatic CH, and their CD counterparts), CO2 ice, pure rotational and ro-vibrational lines from H2, and ro-vibrational lines HD, CO, and CH+, most of them detected for the first time towards a PDR. Their spatial distribution resolves the H and He ionisation structure in the Huygens region, gives insight into the geometry of the Bar, and confirms the large-scale stratification of PDRs. We observe numerous smaller scale structures whose typical size decreases with distance from Ori C and IR lines from CI, if solely arising from radiative recombination and cascade, reveal very high gas temperatures consistent with the hot irradiated surface of small-scale dense clumps deep inside the PDR. The H2 lines reveal multiple, prominent filaments which exhibit different characteristics. This leaves the impression of a "terraced" transition from the predominantly atomic surface region to the CO-rich molecular zone deeper in. This study showcases the discovery space created by JWST to further our understanding of the impact radiation from young stars has on their natal molecular cloud and proto-planetary disk, which touches on star- and planet formation as well as galaxy evolution., Comment: 52 pages, 30 figures, submitted to A&A

H2S is thought to be the main sulphur reservoir in the ice, being therefore a key molecule to understand sulphur chemistry in the star formation process and to solve the missing sulphur problem. The H2S deuterium fraction can be used to constrain its formation pathways. We investigate for the first time the H2S deuteration in a large sample of starless cores (SC). We use observations of the GEMS IRAM 30m Large Program and complementary IRAM 30m observations. We consider a sample of 19 SC in Taurus, Perseus, and Orion, detecting HDS in 10 and D2S in five. The H2S single and double deuterium fractions are analysed with regard to their relation with the cloud physical parameters, their comparison with other interstellar sources, and their comparison with deuterium fractions in early stage star-forming sources of c-C3H2, H2CS, H2O, H2CO, and CH3OH. We obtain a range of X(HDS)/X(H2S)~0.025-0.2 and X(D2S)/X(HDS)~0.05-0.3. H2S single deuteration shows an inverse relation with the cloud kinetic temperature. H2S deuteration values in SC are similar to those observed in Class 0. Comparison with other molecules in other sources reveals a general trend of decreasing deuteration with increasing temperature. In SC and Class 0 objects H2CS and H2CO present higher deuteration fractions than c-C3H2, H2S, H2O, and CH3OH. H2O shows single and double deuteration values one order of magnitude lower than those of H2S and CH3OH. Differences between c-C3H2, H2CS and H2CO deuterium fractions and those of H2S, H2O, and CH3OH are related to deuteration processes produced in gas or solid phases, respectively. We interpret the differences between H2S and CH3OH deuterations and that of H2O as a consequence of differences on the formation routes in the solid phase, particularly in terms of the different occurrence of the D-H and H-D substitution reactions in the ice, together with the chemical desorption processes., Comment: Accepted for publication in A&A

The JWST has captured the most detailed and sharpest infrared images ever taken of the inner region of the Orion Nebula, the nearest massive star formation region, and a prototypical highly irradiated dense photo-dissociation region (PDR). We investigate the fundamental interaction of far-ultraviolet photons with molecular clouds. The transitions across the ionization front (IF), dissociation front (DF), and the molecular cloud are studied at high-angular resolution. These transitions are relevant to understanding the effects of radiative feedback from massive stars and the dominant physical and chemical processes that lead to the IR emission that JWST will detect in many Galactic and extragalactic environments. Due to the proximity of the Orion Nebula and the unprecedented angular resolution of JWST, these data reveal that the molecular cloud borders are hyper structured at small angular scales of 0.1-1" (0.0002-0.002 pc or 40-400 au at 414 pc). A diverse set of features are observed such as ridges, waves, globules and photoevaporated protoplanetary disks. At the PDR atomic to molecular transition, several bright features are detected that are associated with the highly irradiated surroundings of the dense molecular condensations and embedded young star. Toward the Orion Bar PDR, a highly sculpted interface is detected with sharp edges and density increases near the IF and DF. This was predicted by previous modeling studies, but the fronts were unresolved in most tracers. A complex, structured, and folded DF surface was traced by the H2 lines. This dataset was used to revisit the commonly adopted 2D PDR structure of the Orion Bar. JWST provides us with a complete view of the PDR, all the way from the PDR edge to the substructured dense region, and this allowed us to determine, in detail, where the emission of the atomic and molecular lines, aromatic bands, and dust originate.

(Abridged) Mid-infrared observations of photodissociation regions (PDRs) are dominated by strong emission features called aromatic infrared bands (AIBs). The most prominent AIBs are found at 3.3, 6.2, 7.7, 8.6, and 11.2 $\mu$m. The most sensitive, highest-resolution infrared spectral imaging data ever taken of the prototypical PDR, the Orion Bar, have been captured by JWST. We provide an inventory of the AIBs found in the Orion Bar, along with mid-IR template spectra from five distinct regions in the Bar: the molecular PDR, the atomic PDR, and the HII region. We use JWST NIRSpec IFU and MIRI MRS observations of the Orion Bar from the JWST Early Release Science Program, PDRs4All (ID: 1288). We extract five template spectra to represent the morphology and environment of the Orion Bar PDR. The superb sensitivity and the spectral and spatial resolution of these JWST observations reveal many details of the AIB emission and enable an improved characterization of their detailed profile shapes and sub-components. While the spectra are dominated by the well-known AIBs at 3.3, 6.2, 7.7, 8.6, 11.2, and 12.7 $\mu$m, a wealth of weaker features and sub-components are present. We report trends in the widths and relative strengths of AIBs across the five template spectra. These trends yield valuable insight into the photochemical evolution of PAHs, such as the evolution responsible for the shift of 11.2 $\mu$m AIB emission from class B$_{11.2}$ in the molecular PDR to class A$_{11.2}$ in the PDR surface layers. This photochemical evolution is driven by the increased importance of FUV processing in the PDR surface layers, resulting in a "weeding out" of the weakest links of the PAH family in these layers. For now, these JWST observations are consistent with a model in which the underlying PAH family is composed of a few species: the so-called 'grandPAHs'., Comment: 25 pages, 10 figures, to appear in A&A

We revise the rates of reactions CH + S -> CS + H and C_2 + S -> CS + C, important CS formation routes in dark and diffuse warm gas. We performed ab initio calculations to characterize the main features of all the electronic states correlating to the open shell reactants. For CH+S we have calculated the full potential energy surfaces for the lowest doublet states and the reaction rate constant with a quasi-classical method. For C_2+S, the reaction can only take place through the three lower triplet states, which all present deep insertion wells. A detailed study of the long-range interactions for these triplet states allowed to apply a statistic adiabatic method to determine the rate constants. This study of the CH + S reaction shows that its rate is nearly independent on the temperature in a range of 10-500 K with an almost constant value of 5.5 10^{-11} cm^3/s at temperatures above 100~K. This is a factor \sim 2-3 lower than the value obtained with the capture model. The rate of the reaction C_2 + S depends on the temperature taking values close to 2.0 10^{-10} cm^3/s at low temperatures and increasing to 5. 10^{-10} cm^3/s for temperatures higher than 200~K. Our modeling provides a rate higher than the one currently used by factor of \sim 2. These reactions were selected for involving open-shell species with many degenerate electronic states, and the results obtained in the present detailed calculations provide values which differ a factor of \sim 2-3 from the simpler classical capture method. We have updated the sulphur network with these new rates and compare our results in the prototypical case of TMC1 (CP). We find a reasonable agreement between model predictions and observations with a sulphur depletion factor of 20 relative to the sulphur cosmic abundance, but it is not possible to fit all sulphur-bearing molecules better than a factor of 10 at the same chemical time., Comment: 13 pages, 10 figures

The sulfur abundance is poorly known in most environments. Yet, deriving the sulfur abundance is key to understanding the evolution of the chemistry from molecular clouds to planetary atmospheres. We present observations of H$_2$S 110-101 at 168.763 GHz toward the Herbig Ae star AB Aur. We aim to study the abundance of sulfuretted species toward AB Aur and to constrain how different species and phases contribute to the sulfur budget. We present new NOrthern Extended Millimeter Array (NOEMA) interferometric observations of the continuum and H$_2$S 110-101 line at 168.763 GHz toward AB Aur. We derived radial and azimuthal profiles and used them to compare the geometrical distribution of different species in the disk. Assuming local thermodynamical equilibrium (LTE), we derived column density and abundance maps for H$_2$S, and we further used Nautilus to produce a more detailed model of the chemical abundances at different heights over the mid-plane at a distance of r=200 au. We have resolved H$_2$S emission in the AB Aur protoplanetary disk. The emission comes from a ring extending from 0.67 (109 au) to 1.69 (275 au). Under simple assumptions, we derived an abundance of (3.1$\pm$0.8)$\times$10$\rm ^{-10}$ with respect to H nuclei, which we compare with Nautilus models to deepen our understanding of the sulfur chemistry in protoplanetary disks. Chemical models indicate that H$-2$S is an important sulfur carrier in the solid and gas phase. We also find an important transition at a height of 12 au, where the sulfur budget moves from being dominated by ice species to being dominated by gas species. Studying sulfuretted species in detail in the different phases of the interstellar medium is key to solving the issue., Comment: 11 pages, 14 figures, 4 tables

Massive stars disrupt their natal molecular cloud material through radiative and mechanical feedback processes. These processes have profound effects on the evolution of interstellar matter in our Galaxy and throughout the Universe, from the era of vigorous star formation at redshifts of 1-3 to the present day. The dominant feedback processes can be probed by observations of the Photo-Dissociation Regions (PDRs) where the far-ultraviolet photons of massive stars create warm regions of gas and dust in the neutral atomic and molecular gas. PDR emission provides a unique tool to study in detail the physical and chemical processes that are relevant for most of the mass in inter- and circumstellar media including diffuse clouds, proto-planetary disks and molecular cloud surfaces, globules, planetary nebulae, and star-forming regions. PDR emission dominates the infrared (IR) spectra of star-forming galaxies. Most of the Galactic and extragalactic observations obtained with the James Webb Space Telescope (JWST) will therefore arise in PDR emission. In this paper we present an Early Release Science program using the MIRI, NIRSpec, and NIRCam instruments dedicated to the observations of an emblematic and nearby PDR: the Orion Bar. These early JWST observations will provide template datasets designed to identify key PDR characteristics in JWST observations. These data will serve to benchmark PDR models and extend them into the JWST era. We also present the Science-Enabling products that we will provide to the community. These template datasets and Science-Enabling products will guide the preparation of future proposals on star-forming regions in our Galaxy and beyond and will facilitate data analysis and interpretation of forthcoming JWST observations., Comment: Submitted to PASP

Predicting how a young planet shapes the gas and dust emission of its parent disc is key to constraining the presence of unseen planets in protoplanetary disc observations. We investigate the case of a 2 Jupiter mass planet that becomes eccentric after migrating into a low-density gas cavity in its parent disc. Two-dimensional hydrodynamical simulations are performed and post-processed by three-dimensional radiative transfer calculations. In our disc model, the planet eccentricity reaches ~0.25, which induces strong asymmetries in the gas density inside the cavity. These asymmetries are enhanced by photodissociation and form large-scale asymmetries in 12CO J=3-2 integrated intensity maps. They are shown to be detectable for an angular resolution and a noise level similar to those achieved in ALMA observations. Furthermore, the planet eccentricity renders the gas inside the cavity eccentric, which manifests as a narrowing, stretching and twisting of iso-velocity contours in velocity maps of 12CO J=3-2. The planet eccentricity does not, however, give rise to detectable signatures in 13CO and C18O J=3-2 inside the cavity because of low column densities. Outside the cavity, the gas maintains near-circular orbits, and the vertically extended optically thick CO emission displays a four-lobed pattern in integrated intensity maps for disc inclinations > 30 degrees. The lack of large and small dust inside the cavity in our model further implies that synthetic images of the continuum emission in the sub-millimetre, and of polarized scattered light in the near-infrared, do not show significant differences when the planet is eccentric or still circular inside the cavity., Comment: 19 pages, 14 figures, accepted for publication in MNRAS

AB Aur is a Herbig Ae star that hosts a prototypical transition disk. The disk shows a plethora of features connected with planet formation mechanisms. Understanding the physical and chemical characteristics of these features is crucial to advancing our knowledge of planet formation. We aim to characterize the gaseous disk around the Herbig Ae star AB Aur. A complete spectroscopic study was performed using NOEMA to determine the physical and chemical conditions. We present new observations of the continuum and 12CO, 13CO, C18O, H2CO, and SO lines. We used the integrated intensity maps and stacked spectra to derive estimates of the disk temperature. By combining our 13CO and C18O observations, we computed the gas-to-dust ratio along the disk. We also derived column density maps for the different species and used them to compute abundance maps. The results of our observations were compared with Nautilus astrochemical models. We detected continuum emission in a ring that extends from 0.6 to 2.0 arcsec, peaking at 0.97 and with a strong azimuthal asymmetry. The molecules observed show different spatial distributions, and the peaks of the distributions are not correlated with the binding energy. Using H2CO and SO lines, we derived a mean disk temperature of 39 K. We derived a gas-to-dust ratio that ranges from 10 to 40. The comparison with Nautilus models favors a disk with a low gas-to-dust ratio (40) and prominent sulfur depletion. From a very complete spectroscopic study of the prototypical disk around AB Aur, we derived, for the first time, the gas temperature and the gas-to-dust ratio along the disk, providing information that is essential to constraining hydrodynamical simulations.Moreover, we explored the gas chemistry and, in particular, the sulfur depletion. The derived sulfur depletion is dependent on the assumed C/O ratio. Our data are better explained with C/O ~ 0.7 and S/H=8e-8., Comment: 13 figures, 6 tables

We have developed the first gas-grain chemical model for oxygen fractionation (also including sulphur fractionation) in dense molecular clouds, demonstrating that gas-phase chemistry generates variable oxygen fractionation levels, with a particularly strong effect for NO, SO, O2, and SO2. This large effect is due to the efficiency of the neutral 18O + NO, 18O + SO, and 18O + O2 exchange reactions. The modeling results were compared to new and existing observed isotopic ratios in a selection of cold cores. The good agreement between model and observations requires that the gas-phase abundance of neutral oxygen atoms is large in the observed regions. The S16O/S18O ratio is predicted to vary substantially over time showing that it can be used as a sensitive chemical proxy for matter evolution in dense molecular clouds., Comment: 22 pages, 5 figures

We present the first detection of gas phase S2H in the Horsehead, a moderately UV-irradiated nebula. This confirms the presence of doubly sulfuretted species in the interstellar medium and opens a new challenge for sulfur chemistry. The observed S2H abundance is ~5x10$^{-11}$, only a factor 4-6 lower than that of the widespread H2S molecule. H2S and S2H are efficiently formed on the UV-irradiated icy grain mantles. We performed ice irradiation experiments to determine the H2S and S2H photodesorption yields. The obtained values are ~1.2x10$^{-3}$ and <1x10$^{-5}$ molecules per incident photon for H2S and S2H, respectively. Our upper limit to the S2H photodesorption yield suggests that photo-desorption is not a competitive mechanism to release the S2H molecules to the gas phase. Other desorption mechanisms such as chemical desorption, cosmic-ray desorption and grain shattering can increase the gaseous S2H abundance to some extent. Alternatively, S2H can be formed via gas phase reactions involving gaseous H2S and the abundant ions S+ and SH+. The detection of S2H in this nebula could be therefore the result of the coexistence of an active grain surface chemistry and gaseous photo-chemistry., Comment: 8 pages, 2 figures. Astrophysical Journal Letter, in press

The extremely young Class 0 object B1b-S and the first hydrostatic core (FSHC) candidate, B1b-N, provide a unique opportunity to study the chemical changes produced in the elusive transition from the prestellar core to the protostellar phase. We present 40"x70" images of Barnard 1b in the 13CO 1->0, C18O 1->0, NH2D 1_{1,1}a->1_{0,1}s, and SO 3_2->2_1 lines obtained with the NOEMA interferometer. The observed chemical segregation allows us to unveil the physical structure of this young protostellar system down to scales of ~500au. The two protostellar objects are embedded in an elongated condensation, with a velocity gradient of ~0.2-0.4 m s^{-1} au^{-1} in the east-west direction, reminiscent of an axial collapse. The NH2D data reveal cold and dense pseudo-disks (R~500-1000 au) around each protostar. Moreover, we observe evidence of pseudo-disk rotation around B1b-S. We do not see any signature of the bipolar outflows associated with B1b-N and B1b-S, which were previously detected in H2CO and CH3OH, in any of the imaged species. The non-detection of SO constrains the SO/CH3OH abundance ratio in the high-velocity gas., Comment: 9 pages, 4 figures

One serious challenge for planet formation is the rapid inward drift of pebble-sized dust particles in protoplanetary disks. Dust trapping at local maxima in the disk gas pressure has received much theoretical attention but still lacks observational support. The cold dust emission in the AB Aur disk forms an asymmetric ring at a radius of about 120 au, which is suggestive of dust trapping in a gas vortex. We present high spatial resolution (0".58x0".78 ~ 80x110 au) NOEMA observations of the 1.12 mm and 2.22 mm dust continuum emission from the AB Aur disk. Significant azimuthal variations of the flux ratio at both wavelengths indicate a size segregation of the large dust particles along the ring. Our continuum images also show that the intensity variations along the ring are smaller at 2.22 mm than at 1.12 mm, contrary to what dust trapping models with a gas vortex have predicted. Our two-fluid (gas+dust) hydrodynamical simulations demonstrate that this feature is well explained if the gas vortex has started to decay due to turbulent diffusion, and dust particles are thus losing the azimuthal trapping on different timescales depending on their size. The comparison between our observations and simulations allows us to constrain the size distribution and the total mass of solid particles in the ring, which we find to be of the order of 30 Earth masses, enough to form future rocky planets., Comment: 9 pags, 4 Figures

We present subarcsecond 1.3 mm continuum ALMA observations towards the Orion Molecular Cloud 1 South (OMC-1S) region, down to a spatial resolution of 74 AU, which reveal a total of 31 continuum sources. We also present subarcsecond 7 mm continuum VLA observations of the same region, which allow to further study fragmentation down to a spatial resolution of 40 AU. By applying a Mean Surface Density of Companions method we find a characteristic spatial scale at ~560 AU, and we use this spatial scale to define the boundary of 19 `cores' in OMC-1S as groupings of millimeter sources. We find an additional characteristic spatial scale at ~2900 AU, which is the typical scale of the filaments in OMC-1S, suggesting a two-level fragmentation process. We measured the fragmentation level within each core and find a higher fragmentation towards the southern filament. In addition, the cores of the southern filament are also the densest (within 1100 AU) cores in OMC-1S. This is fully consistent with previous studies of fragmentation at spatial scales one order of magnitude larger, and suggests that fragmentation down to 40 AU seems to be governed by thermal Jeans processes in OMC-1S., Comment: Accepted to ApJ

We report on subarcsecond observations of complex organic molecules (COMs) in the high-mass protostar IRAS20126+4104 with the Plateau de Bure Interferometer in its most extended configurations. In addition to the simple molecules SO, HNCO and H2-13CO, we detect emission from CH3CN, CH3OH, HCOOH, HCOOCH3, CH3OCH3, CH3CH2CN, CH3COCH3, NH2CN, and (CH2OH)2. SO and HNCO present a X-shaped morphology consistent with tracing the outflow cavity walls. Most of the COMs have their peak emission at the putative position of the protostar, but also show an extension towards the south(east), coinciding with an H2 knot from the jet at about 800-1000 au from the protostar. This is especially clear in the case of H2-13CO and CH3OCH3. We fitted the spectra at representative positions for the disc and the outflow, and found that the abundances of most COMs are comparable at both positions, suggesting that COMs are enhanced in shocks as a result of the passage of the outflow. By coupling a parametric shock model to a large gas-grain chemical network including COMs, we find that the observed COMs should survive in the gas phase for about 2000 yr, comparable to the shock lifetime estimated from the water masers at the outflow position. Overall, our data indicate that COMs in IRAS20126+4104 may arise not only from the disc, but also from dense and hot regions associated with the outflow., Comment: accepted in MNRAS. Figures of Appendix A upon request to first author

The enormous radiative and mechanical luminosities of massive stars impact a vast range of scales and processes, from the reionization of the universe, to the evolution of galaxies, to the regulation of the interstellar medium, to the formation of star clusters, and even to the formation of planets around stars in such clusters. Two main classes of massive star formation theory are under active study, Core Accretion and Competitive Accretion. In Core Accretion, the initial conditions are self-gravitating, centrally concentrated cores that condense with a range of masses from the surrounding, fragmenting clump environment. They then undergo relatively ordered collapse via a central disk to form a single star or a small-N multiple. In this case, the pre-stellar core mass function has a similar form to the stellar initial mass function. In Competitive Accretion, the material that forms a massive star is drawn more chaotically from a wider region of the clump without passing through a phase of being in a massive, coherent core. In this case, massive star formation must proceed hand in hand with star cluster formation. If stellar densities become very high near the cluster center, then collisions between stars may also help to form the most massive stars. We review recent theoretical and observational progress towards understanding massive star formation, considering physical and chemical processes, comparisons with low and intermediate-mass stars, and connections to star cluster formation., Comment: Accepted for publication as a chapter in Protostars and Planets VI, University of Arizona Press (2014), eds. H. Beuther, R. Klessen, C. Dullemond, Th. Henning

The evolution of deeply embedded young stellar objects (YSOs) has traditionally been traced through dust continuum spectral energy distributions (SEDs), but the use of CO excitation as an evolutionary probe has not yet been explored due to lack of high-J CO observations. The aim is to constrain the physical characteristics (excitation, kinematics, column density) of the warm gas toward 26 low-mass Class 0 and I YSOs using spectrally-resolved Herschel Space Observatory data of high-J lines of CO. Data are complemented by ground-based observations from APEX and the JCMT to compare those with the colder gas traced by lower-J CO lines. This is the first large spectrally resolved high-J CO survey conducted for these types of sources. The median excitation temperatures for 12CO, 13CO and C18O derived from single-temperature fits to the J_u=2-10 integrated intensities are ~70K, 48K and 37K, respectively, with no significant difference between Class 0 and I sources and no trend with M_env or L_bol. Thus, in contrast with the continuum SEDs, the spectral line energy distributions (SLEDs) do not show an evolution during the embedded stage. In contrast, the integrated line intensities of all CO isotopologs show a clear decrease with evolutionary stage as the envelope is dispersed. The H2O 110-101/CO 10-9 intensity ratio does not change significantly with velocity, in contrast with the H2O/CO 3-2 ratio, indicating that CO 10-9 is the lowest transition for which the line wings probe the same warm shocked gas as H2O. Modeling of the full suite of C18O lines indicates an abundance profile for Class 0 sources that is consistent with a freeze-out zone below 25 K and evaporation at higher temperatures, with but some fraction of the CO transformed into other species in the cold phase. In contrast, observations for two Class I sources in Ophiuchus are consistent with a constant high CO abundance profile., Comment: 48 pages, 47 figures, Accepted by Astronomy & Astrophysics

We observationally investigate the relation between the photoelectric heating efficiency in PDRs and the charge of PAHs, which are considered to play a key role in photoelectric heating. Using PACS onboard Herschel, we observed six PDRs spanning a wide range of FUV radiation fields (G_0=100-10^5). To measure the photoelectric heating efficiency, we obtained the intensities of the main cooling lines, i.e., the [OI]63um, 145um, and [CII]158um, as well as the FIR continuum intensity. We used Spitzer/IRS spectroscopic mapping observations to investigate the MIR PAH features in the same regions. We decomposed the MIR PAH emission into that of neutral (PAH^0) and positively ionized (PAH^+) species to derive the fraction of the positively charged PAHs, and compare it to the photoelectric heating efficiency. The heating efficiency traced by ([OI]63um+[OI]145um+[CII]158um) / TIR, ranges between 0.1% and 0.9% in different sources, and the fraction of PAH^+ relative to (PAH^0 + PAH^+) spans from 0(+11)% to 87(+/-10)%. All positions with a high PAH^+ fraction show a low heating efficiency, and all positions with a high heating efficiency have a low PAH^+ fraction, supporting the scenario in which a positive grain charge results in a decreased heating efficiency. Theoretical estimates of the photoelectric heating efficiency show a stronger dependence on the charging parameter gamma=G_0 T^{1/2}/n_e than the observed efficiency reported in this study, and the discrepancy is significant at low gamma. The photoelectric heating efficiency on PAHs, traced by ([OI]63um+[OI]145um+[CII]158um) / (PAH+[OI]63um+[OI]145um+[CII]158um), shows a much better match between the observations and the theoretical estimates. The good agreement of the photoelectric heating efficiency on PAHs with a theoretical model indicates the dominant contribution of PAHs to the photoelectric heating. (abridged for arXiv), Comment: 14 pages with 10 figures, accepted for publication in A&A

As part of the Herschel Guaranteed Time Key Programme CHESS, we present the discovery of a diffuse gas component in the foreground of the intermediate-mass protostar OMC-2 FIR 4, located in the Orion A region. Making use of the full HIFI spectrum of OMC-2 FIR 4 obtained in CHESS, we detected several ground-state lines from OH+, H2O+, HF, and CH+, all of them seen in absorption against the dust continuum emission of the protostar's envelope. The lines peak at a velocity of 9 km/s, which is blue-shifted by 2 km/s with respect to the systemic velocity of OMC-2 FIR 4 (V = 11.4 km/s). We derived column densities for each species, as well as an upper limit to the column density of the undetected H3O+. In order to model and characterise the foreground cloud, we used the Meudon PDR code to run a homogeneous grid of models that spans a reasonable range of densities, visual extinctions, cosmic ray ionisation rates and far-ultraviolet (FUV) radiation fields. The results of our modelling indicate that the foreground cloud is composed of predominantly neutral diffuse gas (n(H) = 100 cm-3) and is heavily irradiated by an external source of FUV that most likely arises from the nearby Trapezium OB association. The cloud is 6 pc thick and bears many similarities with the so-called C+ interface between Orion-KL and the Trapezium cluster, 2 pc south of OMC-2 FIR 4. We conclude that the foreground cloud we detected is an extension of the C+ interface seen in the direction of Orion KL, and interpret it to be the remains of the parental cloud of OMC-1, which extends from OMC-1 up to OMC-2., Comment: 10 pages, 6 figures, accepted by Astronomy and Astrophysics

In order to study the fragmentation of massive dense cores, which constitute the cluster cradles, we observed with the PdBI in the most extended configuration the continuum at 1.3 mm and the CO(2-1) emission of four massive cores. We detect dust condensations down to ~0.3 Msun and separate millimeter sources down to 0.4" or ~1000 AU, comparable to the sensitivities and separations reached in optical/infrared studies of clusters. The CO(2-1) high angular resolution images reveal high-velocity knots usually aligned with previously known outflow directions. This, in combination with additional cores from the literature observed at similar mass sensitivity and spatial resolution, allowed us to build a sample of 18 protoclusters with luminosities spanning 3 orders of magnitude. Among the 18 regions, ~30% show no signs of fragmentation, while 50% split up into ~4 millimeter sources. We compiled a list of properties for the 18 massive dense cores, such as bolometric luminosity, total mass, and mean density, and found no correlation of any of these parameters with the fragmentation level. In order to investigate the combined effects of magnetic field, radiative feedback and turbulence in the fragmentation process, we compared our observations to radiation magneto-hydrodynamic simulations, and found that the low-fragmented regions are well reproduced in the magnetized core case, while the highly-fragmented regions are consistent with cores where turbulence dominates over the magnetic field. Overall, our study suggests that the fragmentation in massive dense cores could be determined by the initial magnetic field/turbulence balance in each particular core., Comment: accepted for publication in ApJ

Large spatial-spectral surveys are more and more common in astronomy. This calls for the need of new methods to analyze such mega- to giga-pixel data-cubes. In this paper we present a method to decompose such observations into a limited and comprehensive set of components. The original data can then be interpreted in terms of linear combinations of these components. The method uses non-negative matrix factorization (NMF) to extract latent spectral end-members in the data. The number of needed end-members is estimated based on the level of noise in the data. A Monte-Carlo scheme is adopted to estimate the optimal end-members, and their standard deviations. Finally, the maps of linear coefficients are reconstructed using non-negative least squares. We apply this method to a set of hyperspectral data of the NGC 7023 nebula, obtained recently with the HIFI instrument onboard the Herschel space observatory, and provide a first interpretation of the results in terms of 3-dimensional dynamical structure of the region., Comment: Proceedings of the 2012 meeting of the french astronomical society (SF2A) in Nice

The Plateau de Bure Interferometer has been used to map the continuum emission at 3.4 mm and 1.1 mm together with the J=1->0 and J=3->2 lines of HCN and HCO+ towards the binary star GV Tau. The 3.4 mm observations did not resolve the binary components and the HCN J=1->0 and HCO+ J=1->0 line emissions trace the circumbinary disk and the flattened envelope. However, the 1.1 mm observations resolved the individual disks of GV Tau N and GV Tau S and allowed us to study their chemistry. We detected the HCN 3->2 line only towards the individual disk of GV Tau N, and the emission of the HCO+ 3->2 line towards GV Tau S. Simple calculations indicate that the 3->2 line of HCN is formed in the inner R<12 AU of the disk around GV Tau N where the HCN/HCO+ abundance ratio is >300. On the contrary, this ratio is <1.6 in the disk around GV Tau S. The high HCN abundance measured in GV Tau N is well explained by photo-chemical processes in the warm (>400K) and dense disk surface., Comment: 5 pages, 4 figures, accepted for publication in Astrophysical Journal Letters

Intermediate mass protostars, the bridge between the very common solar-like protostars and the more massive, but rarer, O and B stars, can only be studied at high physical spatial resolutions in a handful of clouds. In this paper we present and analyze the continuum results from an observing campaign at the Submillimeter Array targeting two well-studied intermediate mass protostars in Orion, NGC 2071 and L1641 S3 MMS 1. The extended SMA (eSMA) probes structure at angular resolutions up to 0.2", revealing protostellar disks on scales of 200 AU. Continuum flux measurements on these scales indicate that a significant amount of mass, a few tens of M{\odot}, are present. Envelope, stellar, and disk masses are derived using both compact, extended and eSMA configurations and compared against SED-fitting models. We hypothesize that fragmentation into three components occurred within NGC 2071 at an early time, when the envelopes were less than 10% of their current masses, e.g. < 0.5 M{\odot}. No fragmentation occurred for L1641 S3 MMS 1. For NGC 2071 evidence is given that the bulk of the envelope material currently around each source was accreted after the initial fragmentation. In addition, about 30% of the total core mass is not yet associated to one of the three sources. A global accretion model is favored and a potential accretion history of NGC 2071 is presented. It is shown that the relatively low level of fragmentation in NGC 2071 was stifled compared to the expected fragmentation from a Jean's argument., Comment: 15 pages, accepted for publication in the Astrophysical Journal (ApJ)

Observations with the Plateau de Bure Interferometer in the most extended configuration toward two intermediate-mass star-forming regions, IRAS22198+6336 and AFGL5142, reveal the presence of several complex organic molecules at ~500 AU scales, confirming the presence of hot cores in both regions. The hot cores are not rich in CN-bearing molecules, as often seen in massive hot cores, and are mainly traced by CH3CH2OH, (CH2OH)2, CH3COCH3, and CH3OH, with additionally CH3CHO, CH3OD and HCOOD for IRAS22198+6336, and C6H, and O13CS for AFGL5142. The emission of complex molecules is resolved down to sizes of ~300 and ~600 AU, for IRAS22198+6336 and AFGL5142, respectively, and most likely is tracing protostellar disks rather than flattened envelopes or toroids as usually found. This is specially clear for the case of IRAS22198+6336, where we detect a velocity gradient for all the mapped molecules perpendicular to the most chemically rich outflow of the region, yielding a dynamic mass >4 Msun. As for AFGL5142, the hot core emission is resolved into two elongated cores separated 1800 AU. A detailed comparison of the complex molecule peaks to the new CO(2-1) data and H2O maser data from literature suggests that also for AFGL5142 the complex molecules are mainly associated with disks, except for a faint and extended molecular emission found to the west, which is possibly produced in the interface between one of the outflows and the dense surrounding gas., Comment: ApJ letters, in press; references and typos added

Herbig Ae stars (HAe) are the precursors of Vega-type systems and, therefore, crucial objects in planet formation studies. Thus far, only a few disks associated with HAe stars have been studied using millimetre interferometers. Our aim is to determine the dust evolution and the lifetime of the disks associated with Herbig Ae stars. We imaged the continuum emission at 3 mm and 1.3 mm of the Herbig Ae/Be stars BD+61154, RR Tau, VY Mon and LkHa 198 using the Plateau de Bure Interferometer (PdBI). These stars are in the upper end of the stellar mass range of the Herbig Ae stars (stellar mass greater than 3 solar masses). Our measurements were used to complete the Spectral Energy Distribution (SED). The modelling of the SED, in particular the FIR-mm part, allow us to determine the masses and dust properties of these disks. We detected the disks associated with BD+61154, RR Tau and VY Mon with disk masses of 0.35 Msun, 0.05 Msun and 0.40 Msun respectively. The disk around LkHa 198 was not detected with an upper limit to the disk mass of 0.004 Msun. We detected, however, the disks associated with the younger stellar objects LkHa 198--IR and LkHa 198-mm that are located in the vicinity of LkHa 198. The fitting of the mm part of the SED reveal that the grains in the mid-plane of the disks around BD+61154, RR Tau and VY Mon have sizes of 1--1000 microns. Therefore, grains have not grown to centimetre sizes in these disks yet. These massive (M>3 Msun) and young (about 1 Myr) HAe stars are surrounded by massive (>0.04 Msun) disks with grains of micron-millimetre sizes. Although grain growth is proceeding in these disks, their evolutionary stage is prior to the formation of planetesimals. These disks are less evolved than those detected around T Tauri and Herbig Be stars.