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Dense cold molecular cores/filaments are surrounded by an envelope of translucent gas. Some of the low-J emission lines of CO and HCO$^+$ isotopologues are more sensitive to the conditions either in the translucent environment or in the dense cold one. We propose a cloud model composed of three homogeneous slabs of gas along each LoS, representing an envelope and a shielded inner layer. IRAM-30m data from the ORION-B large program toward the Horsehead nebula are used to demonstrate the method's capability. We use the non-LTE radiative transfer code RADEX to model the line profiles from the kinetic temperature $T_{kin}$, the volume density $n_{H_2}$, kinematics and chemical properties of the different layers. We then use a maximum likelihood estimator to simultaneously fit the lines of the CO and HCO$^+$ isotopologues. We constrain column density ratios to limit the variance on the estimates. This simple heterogeneous model provides good fits of the fitted lines over a large part of the cloud. The decomposition of the intensity into three layers allows to discuss the distribution of the estimated physical/chemical properties along the LoS. About 80$\%$ the CO integrated intensity comes from the envelope, while $\sim55\%$ of that of the (1-0) and (2-1) lines of C$^{18}$O comes from the inner layer. The $N(^{13}CO)/N(C^{18}O)$ in the envelope increases with decreasing $A_v$, and reaches $25$ in the pillar outskirts. The envelope $T_{kin}$ varies from 25 to 40 K, that of the inner layer drops to $\sim 15$ K in the western dense core. The inner layer $n_{H_2}$ is $\sim 3\times10^4\,\text{cm}^{-3}$ toward the filament and it increases by a factor $10$ toward dense cores. The proposed method correctly retrieves the physical/chemical properties of the Horsehead nebula and offers promising prospects for less supervised model fits of wider-field datasets.

Observations of ionic, atomic, or molecular lines are performed to improve our understanding of the interstellar medium (ISM). However, the potential of a line to constrain the physical conditions of the ISM is difficult to assess quantitatively, because of the complexity of the ISM physics. The situation is even more complex when trying to assess which combinations of lines are the most useful. Therefore, observation campaigns usually try to observe as many lines as possible for as much time as possible. We search for a quantitative statistical criterion to evaluate the constraining power of a (or combination of) tracer(s) with respect to physical conditions in order to improve our understanding of the statistical relationships between ISM tracers and physical conditions and helps observers to motivate their observation proposals. The best tracers are obtained by comparing the mutual information between a physical parameter and different sets of lines. We apply this method to simulations of radio molecular lines emitted by a photodissociation region similar to the Horsehead Nebula that would be observed at the IRAM 30m telescope. We search for the best lines to constrain the visual extinction $A_v^{tot}$ or the far UV illumination $G_0$. The most informative lines change with the physical regime (e.g., cloud extinction). Short integration time of the CO isotopologue $J=1-0$ lines already yields much information on the total column density most regimes. The best set of lines to constrain the visual extinction does not necessarily combine the most informative individual lines. Precise constraints on $G_0$ are more difficult to achieve with molecular lines. They require spectral lines emitted at the cloud surface (e.g., [CII] and [CI] lines). This approach allows one to better explore the knowledge provided by ISM codes, and to guide future observation campaigns.

The study of the chemical composition of the interstellar medium (ISM) requires a strong synergy between laboratory astrophysics, modeling, and observations. In particular, astrochemical models have been developed for decades now and include an increasing number of processes studied in the laboratory or theoretically. These models follow the chemistry both in the gas phase and at the surface of interstellar grains. Since 2012, we have provided complete gas-phase chemical networks for astrochemical codes that can be used to model various environments of the ISM. Our aim is to introduce the new up-to-date astrochemical network kida.uva.2024 together with the ice chemical network and the fortran code to compute time dependent compositions of the gas, the ice surface, and the ice mantles under physical conditions relevant for the ISM. The gas-phase chemical reactions, as well as associated rate coefficients, included in kida.uva.2024 were carefully selected from the KIDA online database and represent the most recent values. The model predictions for cold core conditions and for when considering only gas-phase processes were computed as a function of time and compared to the predictions obtained with the previous version, kida.uva.2014. In addition, key chemical reactions were identified. The model predictions, including both gas and surface processes, were compared to the molecular abundances as observed in the cold core TMC1-CP. Many gas-phase reactions were revised or added to produce kida.uva.2024. The new model predictions are different by several orders of magnitude for some species. The agreement of this new model with observations in TMC-1 (CP) is, however, similar to the one obtained with the previous network., Comment: Accepted for publication in A&A

Resolved molecular line observations are essential for gaining insight into the physical and chemical structure of protoplanetary disks, particularly in cold, dense regions where planets form and acquire their chemical compositions. However, tracing these regions is challenging because most molecules freeze onto grain surfaces and are not observable in the gas phase. We investigated cold molecular chemistry in the triple stellar T Tauri disk GG Tau A, which harbours a massive gas and dust ring and an outer disk, using ALMA Band 7 observations. We present high angular resolution maps of N2H+ and DCO+ emission, with upper limits reported for H2D+, 13CS, and SO2. The radial intensity profile of N2H+ shows most emission near the ring outer edge, while DCO+ exhibits double peaks, one near the ring inner edge and the other in the outer disk. With complementary observations of lower-lying transitions, we constrained the molecular surface densities and rotation temperatures. We compared the derived quantities with model predictions across different cosmic ray ionization (CRI) rates, carbon-to-oxygen (C/O) ratios, and stellar UV fluxes. Cold molecular chemistry, affecting N2H+, DCO+, and H2D+ abundances, is most sensitive to CRI rates, while stellar UV flux and C/O ratios have minimal impact on these three ions. Our best model requires a low cosmic ray ionization rate of 1e-18 s-1. However, it fails to match the low temperatures derived from N2H+ and DCO+, 12 to 16 K, which are much lower than the CO freezing temperature., Comment: Accepted for publication in the Astrophysical Journal; 26 Pages (15 figures and 8 tables)

Robust radiative transfer techniques are requisite for efficiently extracting the physical and chemical information from molecular rotational lines.We study several hypotheses that enable robust estimations of the column densities and physical conditions when fitting one or two transitions per molecular species. We study the extent to which simplifying assumptions aimed at reducing the complexity of the problem introduce estimation biases and how to detect them.We focus on the CO and HCO+ isotopologues and analyze maps of a 50 square arcminutes field. We used the RADEX escape probability model to solve the statistical equilibrium equations and compute the emerging line profiles, assuming that all species coexist. Depending on the considered set of species, we also fixed the abundance ratio between some species and explored different values. We proposed a maximum likelihood estimator to infer the physical conditions and considered the effect of both the thermal noise and calibration uncertainty. We analyzed any potential biases induced by model misspecifications by comparing the results on the actual data for several sets of species and confirmed with Monte Carlo simulations. The variance of the estimations and the efficiency of the estimator were studied based on the Cram{\'e}r-Rao lower bound.Column densities can be estimated with 30% accuracy, while the best estimations of the volume density are found to be within a factor of two. Under the chosen model framework, the peak 12CO(1--0) is useful for constraining the kinetic temperature. The thermal pressure is better and more robustly estimated than the volume density and kinetic temperature separately. Analyzing CO and HCO+ isotopologues and fitting the full line profile are recommended practices with respect to detecting possible biases.Combining a non-local thermodynamic equilibrium model with a rigorous analysis of the accuracy allows us to obtain an efficient estimator and identify where the model is misspecified. We note that other combinations of molecular lines could be studied in the future., Comment: Astronomy and Astrophysics - A\&A, In press

We present 5 deg^2 (~250 pc^2) HCN, HNC, HCO+, and CO J=1-0 maps of the Orion B GMC, complemented with existing wide-field [CI] 492 GHz maps, as well as new pointed observations of rotationally excited HCN, HNC, H13CN, and HN13C lines. We detect anomalous HCN J=1-0 hyperfine structure line emission almost everywhere in the cloud. About 70% of the total HCN J=1-0 luminosity arises from gas at A_V < 8 mag. The HCN/CO J=1-0 line intensity ratio shows a bimodal behavior with an inflection point at A_V < 3 mag typical of translucent gas and UV-illuminated cloud edges. We find that most of the HCN J=1-0 emission arises from extended gas with n(H2) ~< 10^4 cm^-3, even lower density gas if the ionization fraction is > 10^-5 and electron excitation dominates. This result explains the low-A_V branch of the HCN/CO J=1-0 intensity ratio distribution. Indeed, the highest HCN/CO ratios (~0.1) at A_V < 3 mag correspond to regions of high [CI] 492 GHz/CO J=1-0 intensity ratios (>1) characteristic of low-density PDRs. Enhanced FUV radiation favors the formation and excitation of HCN on large scales, not only in dense star-forming clumps. The low surface brightness HCN and HCO+ J=1-0 emission scale with I_FIR (a proxy of the stellar FUV radiation field) in a similar way. Together with CO J=1-0, these lines respond to increasing I_FIR up to G0~20. On the other hand, the bright HCN J=1-0 emission from dense gas in star-forming clumps weakly responds to I_FIR once the FUV radiation field becomes too intense (G0>1500). The different power law scalings (produced by different chemistries, densities, and line excitation regimes) in a single but spatially resolved GMC resemble the variety of Kennicutt-Schmidt law indexes found in galaxy averages. As a corollary for extragalactic studies, we conclude that high HCN/CO J=1-0 line intensity ratios do not always imply the presence of dense gas., Comment: accepted for publication in A&A. 24 pages, 18 figures, plus Appendix. Abridged Abstract

The interpretation of observations of atomic and molecular tracers in the galactic and extragalactic interstellar medium (ISM) requires comparisons with state-of-the-art astrophysical models to infer some physical conditions. Usually, ISM models are too time-consuming for such inference procedures, as they call for numerous model evaluations. As a result, they are often replaced by an interpolation of a grid of precomputed models. We propose a new general method to derive faster, lighter, and more accurate approximations of the model from a grid of precomputed models. These emulators are defined with artificial neural networks (ANNs) designed and trained to address the specificities inherent in ISM models. Indeed, such models often predict many observables (e.g., line intensities) from just a few input physical parameters and can yield outliers due to numerical instabilities or physical bistabilities. We propose applying five strategies to address these characteristics: 1) an outlier removal procedure; 2) a clustering method that yields homogeneous subsets of lines that are simpler to predict with different ANNs; 3) a dimension reduction technique that enables to adequately size the network architecture; 4) the physical inputs are augmented with a polynomial transform to ease the learning of nonlinearities; and 5) a dense architecture to ease the learning of simple relations. We compare the proposed ANNs with standard classes of interpolation methods to emulate the Meudon PDR code, a representative ISM numerical model. Combinations of the proposed strategies outperform all interpolation methods by a factor of 2 on the average error, reaching 4.5% on the Meudon PDR code. These networks are also 1000 times faster than accurate interpolation methods and require ten to forty times less memory. This work will enable efficient inferences on wide-field multiline observations of the ISM.

(Abridged) Massive stars can determine the evolution of molecular clouds with their strong ultraviolet (UV) radiation fields. Moreover, UV radiation is relevant in setting the thermal gas pressure in star-forming clouds, whose influence can extend from the rims of molecular clouds to entire star-forming galaxies. Probing the fundamental structure of nearby molecular clouds is therefore crucial to understand how massive stars shape their surrounding medium and how fast molecular clouds are destroyed, specifically at their UV-illuminated edges, where models predict an intermediate zone of neutral atomic gas between the molecular cloud and the surrounding ionized gas whose size is directly related to the exposed physical conditions. We present the highest angular resolution (~$0.5$", corresponding to $207$ au) and velocity-resolved images of the molecular gas emission in the Horsehead nebula, using CO J=3-2 and HCO$^+$ J=4-3 observations with ALMA. We find that CO and HCO$^+$ are present at the edge of the cloud, very close to the ionization (H$^+$/H) and dissociation fronts (H/H$_2$), suggesting a very thin layer of neutral atomic gas (<$650$ au) and a small amount of CO-dark gas ($A_V=0.006-0.26$ mag) for stellar UV illumination conditions typical of molecular clouds in the Milky Way. The new ALMA observations reveal a web of molecular gas filaments with an estimated thermal gas pressure of $P_{\mathrm{th}} = (2.3 - 4.0) \times 10^6$ K cm$^{-3}$, and the presence of a steep density gradient at the cloud edge that can be well explained by stationary isobaric PDR models with pressures consistent with our estimations. However, in the HII region and PDR interface, we find $P_{\mathrm{th,PDR}} > P_{\mathrm{th,HII}}$, suggesting the gas is slightly compressed. Therefore, dynamical effects cannot be completely ruled out and even higher angular observations will be needed to unveil their role., Comment: 15 pages, 1 table, 9 figures; Accepted for publication in A&A

Ice is ubiquitous in the interstellar medium. We model the formation of the main constituents of interstellar ices, including H2O, CO2 , CO, and CH3 OH. We strive to understand what physical or chemical parameters influence the final composition of the ice and how they benchmark to what has already been observed, with the aim of applying these models to the preparation and analysis of JWST observations. We used the Nautilus gas-grain model, which computes the gas and ice composition as a function of time for a set of physical conditions, starting from an initial gas phase composition. All important processes (gas-phase reactions, gas-grain interactions, and grain surface processes) are included and solved with the rate equation approximation. We first ran an astrochemical code for fixed conditions of temperature and density mapped in the cold core L429-C to benchmark the chemistry. One key parameter was revealed to be the dust temperature. When the dust temperature is higher than 12 K, CO2 will form efficiently at the expense of H2O, while at temperatures below 12 K, it will not form. Whatever hypothesis we assumed for the chemistry (within realistic conditions), the static simulations failed to reproduce the observed trends of interstellar ices in our target core. In a second step, we simulated the chemical evolution of parcels of gas undergoing different physical and chemical situations throughout the molecular cloud evolution and starting a few 1e7 yr prior to the core formation (dynamical simulations). Our dynamical simulations satisfactorily reproduce the main trends already observed for interstellar ices. Moreover, we predict that the apparent constant ratio of CO2/H2O observed to date is probably not true for regions of low AV , and that the history of the evolution of clouds plays an essential role, even prior to their formation., Comment: Accepted for publication in A&A

Cold cores are an early step of star formation, characterized by densities > 10$^4$ cm$^{-3}$, low temperatures (< 15 K), and very low external UV radiation. We investigate the physico-chemical processes at play to tracing the origin of molecules that are predominantly formed via reactions on dust grain surfaces. We observed the cold core LDN 429-C with the NOEMA interferometer and the IRAM 30m single dish telescope in order to obtain the gas-phase abundances of key species, including CO and CH$_3$OH. Comparing the observed gas phase of methanol to its solid phase previously observed with Spitzer allows us to put quantitative constraints on the efficiency of the non-thermal desorption of this species. With physical parameters determined from available Herschel data, we computed abundance maps of 11 detected molecules with a non-local thermal equilibrium radiative transfer model. These observations allowed us to probe the molecular abundances as a function of density and visual extinction, with the variation in temperature being restrained between 12 and 18 K. We then compared the observed abundances to the predictions of the Nautilus astrochemical model. We find that all molecules have lower abundances at high densities and visual extinctions with respect to lower density regions, except for methanol. Comparing these observations with a grid of chemical models based on the local physical conditions, we were able to reproduce these observations, allowing only the parameter time to vary. Comparing the observed gas-phase abundance of methanol with previous measurements of the methanol ice, we estimate a non-thermal desorption efficiency between 0.002% and 0.09%, increasing with density. The apparent increase in the desorption efficiency cannot be reproduced by our model unless the yield of cosmic-ray sputtering is altered due to the ice composition varying as a function of density.

Understanding the initial properties of star-forming material and how they affect the star formation process is key. From an observational point of view, the feedback from young high-mass stars on future star formation properties is still poorly constrained. In the framework of the IRAM 30m ORION-B large program, we obtained observations of the translucent and moderately dense gas, which we used to analyze the kinematics over a field of 5 deg^2 around the filamentary structures. We used the ROHSA algorithm to decompose and de-noise the C18O(1-0) and 13CO(1-0) signals by taking the spatial coherence of the emission into account. We produced gas column density and mean velocity maps to estimate the relative orientation of their spatial gradients. We identified three cloud velocity layers at different systemic velocities and extracted the filaments in each velocity layer. The filaments are preferentially located in regions of low centroid velocity gradients. By comparing the relative orientation between the column density and velocity gradients of each layer from the ORION-B observations and synthetic observations from 3D kinematic toy models, we distinguish two types of behavior in the dynamics around filaments: (i) radial flows perpendicular to the filament axis that can be either inflows (increasing the filament mass) or outflows and (ii) longitudinal flows along the filament axis. The former case is seen in the Orion B data, while the latter is not identified. We have also identified asymmetrical flow patterns, usually associated with filaments located at the edge of an HII region. This is the first observational study to highlight feedback from HII regions on filament formation and, thus, on star formation in the Orion B cloud. This simple statistical method can be used for any molecular cloud to obtain coherent information on the kinematics., Comment: 45 pages. Abridged abstract. Accepted by Astronomy and Astrophysics

The observational counterparts of theoretically predicted first hydrostatic cores (FHSC) have been searched for in the interstellar medium for nearly two decades now. Distinguishing them from other types of more evolved but still embedded objects remains a challenge because these objects have a short lifetime, are small, and embedded in a dense cocoon. One possible lead to finding them is the characterization of the outflows that are launched by these objects. We observed the L1451-mm FHSC candidate with the NOEMA interferometer in order to study the emission of several molecules. A nonlocal thermodynamic equilibrium analysis of the CH$_3$OH detected lines was performed to retrieve the physical conditions of the emitting region around the central source, together with the CH$_3$OH, SiO, CS, and H$_2$CO column densities. Of the targeted molecules, we detected lines of c-C$_3$H$_2$, CH$_3$OH, CS, C$^{34}$S, SO, DCN, DCO$^+$, H$_2$CO, HC$_3$N, HDCO, and SiO. One of the methanol lines appears to be a maser line. The detection of this class I maser and the SiO line in L1451-mm support the presence of a low-velocity and compact outflow. The excitation conditions of the thermal lines of methanol are also compatible with shocks (H$_2$ density of $\sim 3\times 10^6$~cm$^{-3}$ and a temperature higher than 40~K). Although these low-velocity outflows are theoretically predicted by some models of FHSC, these models also predict the shock temperature to be below 20~K, that is, not evaporating methanol. In addition, the predicted velocities would not erode the grains and release silicon in the gas phase. We therefore conclude that these new observations favor the hypothesis that L1451-mm would be at a very early protostellar stage, launching an outflow nearly on the plane of the sky with a higher velocity than is observed., Comment: Accepted for publication in A&A

The accretion rates needed to fuel the central black hole in a galaxy can be achieved via viscous torques in thick disks and rings, which can be resolved by millimetre interferometry within the inner ~20pc of the active galaxy NGC1068 at comparable scales and sensitivity to single dish observations of the Circumnuclear Disk (CND) in the Galactic Center. To interpret observations of these regions and determine the physical properties of their gas distribution, we present a modelling effort that includes (i) a simple dynamical simulations involving partially inelastic collisions between disk gas clouds, (ii) an analytical model of a turbulent clumpy gas disk calibrated by the dynamical model and observations, (iii) local turbulent and cosmic ray gas heating and cooling via H2O, H2, and CO emission, and (iv) determination of the molecular abundances. We also consider photodissociation regions (PDR) where gas is directly illuminated by the central engine. We compare the resulting model datacubes of the CO, HCN, HCO+, and CS brightness temperatures to available observations. In both cases the kinematics can be explained by one or two clouds colliding with a pre-existing ring, in a prograde sense for the CND and retrograde for NGC1068. And, with only dense disk clouds, the line fluxes can be reproduced to within a factor of about two. To avoid self-absorption of the intercloud medium, turbulent heating at the largest scales, comparable to the disk height, has to be decreased by a factor of 50-200. Our models indicate that turbulent mechanical energy input is the dominant gas heating mechanism within the thick gas disks. In N1068, while the bulk of the AGN X-ray radiation is absorbed in a layer of Compton-thick gas inside the dust sublimation radius, the optical/UV radiation may enhance the molecular line emission from photodissociation regions by ~50% at the inner edge of the gas ring., Comment: 36 pages, 32 figures, accepted for publication in A&A

The ISM is a turbulent, multi-phase, and multi-scale medium following scaling relations. Analytical models of galactic gaseous disks need to take into account the multi-scale and multi-phase nature of the interstellar medium. They can be described as clumpy star-forming accretion disks in vertical hydrostatic equilibrium, with the mid-plane pressure balancing the gravity of the gaseous and stellar disk. ISM turbulence is taken into account by applying Galactic scaling relations to the cold atomic and molecular gas phases. Turbulence is maintained through energy injection by supernovae. With the determination of the gas mass fraction at a given spatial scale, the equilibrium gas temperature between turbulent heating and line cooling, the molecular abundances, and the molecular line emission can be calculated. The resulting model radial profiles of IR, H{\sc i}, CO, HCN, and HCO$^+$ emission are compared to THINGS, HERACLES, EMPIRE, SINGS, and GALEX observations of 17 local spiral galaxies. The Toomre parameter, which measures the stability against star formation (cloud collapse), exceeds unity in the inner disk of a significant number of galaxies. In two galaxies it also exceeds unity in the outer disk. Therefore, in spiral galaxies $Q_{\rm tot}=1$ is not ubiquitous. The model gas velocity dispersion is consistent with the observed H{\sc i} velocity dispersion where available. Within our model HCN and HCO$^+$ is already detectable in relatively low-density gas ($\sim 1000$~cm$^{-3}$). CO and HCN conversion factors and molecular gas depletion time were derived. Both conversion factors are consistent with values found in the literature. Whereas in the massive galaxies the viscous timescale greatly exceeds the star formation timescale, the viscous timescale is smaller than the star formation timescale within $\rm{R}~\sim~2~\rm{R}_{\rm d}$, the disk scale length, in the low-mass galaxies., Comment: 22 pages, 10 figures (without appendix) 44 pages, 27 figures

Aims: Interstellar molecules form early in the evolutionary sequence of interstellar material that eventually forms stars and planets. To understand this evolutionary sequence, it is important to characterize the chemical composition of its first steps. Methods: In this paper, we present the result of a 2 and 3 mm survey of five cold clumps identified by the Planck mission. We carried out a radiative transfer analysis on the detected lines in order to put some constraints on the physical conditions within the cores and on the molecular column densities. We also performed chemical models to reproduce the observed abundances in each source using the gas-grain model Nautilus. Results: Twelve molecules were detected: H2CO, CS, SO, NO, HNO, HCO+, HCN, HNC, CN, CCH, CH3OH, and CO. Here, CCH is the only carbon chain we detected in two sources. Radiative transfer analyses of HCN, SO, CS, and CO were performed to constrain the physical conditions of each cloud with limited success. The sources have a density larger than $10^4$ cm$^{-3}$ and a temperature lower than 15 K. The derived species column densities are not very sensitive to the uncertainties in the physical conditions, within a factor of 2. The different sources seem to present significant chemical differences with species abundances spreading over one order of magnitude. The chemical composition of these clumps is poorer than the one of Taurus Molecular Cloud 1 Cyanopolyyne Peak (TMC-1 CP) cold core. Our chemical model reproduces the observational abundances and upper limits for 79 to 83\% of the species in our sources. The "best" times for our sources seem to be smaller than those of TMC-1, indicating that our sources may be less evolved and explaining the smaller abundances and the numerous non-detections. Also, CS and HCN are always overestimated by our models., Comment: Accepted for publication in A&A

Nitrogen-bearing molecules display variable isotopic fractionation levels in different astronomical environments such as in the interstellar medium or in the Solar System. Models of interstellar chemistry are unable to induce nitrogen fraction in cold molecular clouds as exchange reactions for 15N are mostly inefficient. Here, we developed a new gas-grain model for nitrogen fractionation including a thorough search for new nitrogen fractionation reactions and a realistic description of atom depletion onto interstellar dust particles. We show that, while dense molecular cloud gas-phase chemistry alone leads to very low fractionation, 14N atoms are preferentially depleted from the gas-phase due to a mass dependent grain surface sticking rate for atomic nitrogen. However, assuming an elementary 14N/15N ratio of 441 (equal to the solar wind value), our model leads to only low 15N enrichment for all N-containing species synthesized in the gas-phase with predicted 14N/15N ratios in the range 360-400. Higher enrichment levels can neither be explained by this mechanism, nor through chemistry, with two possible explanations. (I) The elementary 14N/15N ratio in the local ISM is smaller, as suggested by the recent work of Romano et al, with an hypothetic 15NNH+ and 15NNH+ depletion due to variation of the electronic recombination rate constant variation with the isotopes. (II) N2 photodissociation leads to variable nitrogen fractionation in diffuse molecular clouds where photons play an important role, which is conserved during dense molecular cloud formation as suggested by the work of Furuya & Aikawa., Comment: 21 pages, 3 figures

Molecular hydrogen being unobservable in cold molecular clouds, the column density measurements of molecular gas currently rely either on dust emission observation in the far-IR or on star counting. (Sub-)millimeter observations of numerous trace molecules are effective from ground based telescopes, but the relationships between the emission of one molecular line and the H2 column density (NH2) is non-linear and sensitive to excitation conditions, optical depths, abundance variations due to the underlying physico-chemistry. We aim to use multi-molecule line emission to infer NH2 from radio observations. We propose a data-driven approach to determine NH2 from radio molecular line observations. We use supervised machine learning methods (Random Forests) on wide-field hyperspectral IRAM-30m observations of the Orion B molecular cloud to train a predictor of NH2, using a limited set of molecular lines as input, and the Herschel-based dust-derived NH2 as ground truth output. For conditions similar to the Orion B molecular cloud, we obtain predictions of NH2 within a typical factor of 1.2 from the Herschel-based estimates. An analysis of the contributions of the different lines to the predictions show that the most important lines are $^{13}$CO(1-0), $^{12}$CO(1-0), C$^{18}$O(1-0), and HCO$^+$(1-0). A detailed analysis distinguishing between diffuse, translucent, filamentary, and dense core conditions show that the importance of these four lines depends on the regime, and that it is recommended to add the N$_2$H$^+$(1-0) and CH$_3$OH(20-10) lines for the prediction of NH2 in dense core conditions. This article opens a promising avenue to directly infer important physical parameters from the molecular line emission in the millimeter domain. The next step will be to try to infer several parameters simultaneously (e.g., NH2 and far-UV illumination field) to further test the method. [Abridged], Comment: Accepted for publication in A&A

Carbon containing molecules in cold molecular clouds show various levels of isotopic fractionation through multiple observations. To understand such effects, we have developed a new gas-grain chemical model with updated 13C fractionation reactions (also including the corresponding reactions for 15N, 18O and 34S). For chemical ages typical of dense clouds, our nominal model leads to two 13C reservoirs: CO and the species that derive from CO, mainly s-CO and s-CH3OH, as well as C3 in the gas phase. The nominal model leads to strong enrichment in C3, c-C3H2 and C2H in contradiction with observations. When C3 reacts with oxygen atoms the global agreement between the various observations and the simulations is rather good showing variable 13C fractionation levels which are specific to each species. Alternatively, hydrogen atom reactions lead to notable relative 13C fractionation effects for the two non-equivalent isotopologues of C2H, c-C3H2 and C2S. As there are several important fractionation reactions, some carbon bearing species are enriched in 13C, particularly CO, depleting atomic 13C in the gas phase. This induces a 13C depletion in CH4 formed on grain surfaces, an effect that is not observed in the CH4 in the solar system, in particular on Titan. This seems to indicate a transformation of matter between the collapse of the molecular clouds, leading to the formation of the protostellar disc, and the formation of the planets. Or it means that the atomic carbon sticking to the grains reacts with the species already on the grains giving very little CH4., Comment: Accepted in MNRAS. 33 pages, 15 figures

The ionization fraction plays a key role in the physics and chemistry of the neutral interstellar medium, from controlling the coupling of the gas to the magnetic field to allowing fast ion-neutral reactions that drive interstellar chemistry. Most estimations of the ionization fraction have relied on deuterated species such as DCO+, whose detection is limited to dense cores representing an extremely small fraction of the volume of the giant molecular clouds they are part of. As large field-of-view hyperspectral maps become available, new tracers may be found. We search for the best observable tracers of the ionization fraction based on a grid of astrochemical models. We build grids of models that sample randomly a large space of physical conditions (unobservable quantities such as gas density, temperature, etc.) and compute the corresponding observables (line intensities, column densities) and the ionization fraction. We estimate the predictive power of each potential tracer by training a Random Forest model to predict the ionization fraction from that tracer, based on these model grids. In both translucent medium and cold dense medium conditions, several observable tracers with very good predictive power for the ionization fraction are found. Several tracers in cold dense medium conditions are found to be better and more widely applicable than the traditional DCO+/HCO+ ratio. We also provide simpler analytical fits for estimating the ionization fraction from the best tracers, and for estimating the associated uncertainties. We discuss the limitations of the present study and select a few recommended tracers in both types of conditions. The method presented here is very general and can be applied to the measurement of any other quantity of interest (cosmic ray flux, elemental abundances, etc.) from any type of model (PDR models, time-dependent chemical models, etc.). (abridged), Comment: 29 pages, 15 figures. Accepted for publication in A&A

We present a study of the elemental depletion in the interstellar medium. We combined the results of a Galatic model describing the gas physical conditions during the formation of dense cores with a full-gas-grain chemical model. During the transition between diffuse and dense medium, the reservoirs of elements, initially atomic in the gas, are gradually depleted on dust grains (with a phase of neutralisation for those which are ions). This process becomes efficient when the density is larger than 100~cm$^{-3}$. If the dense material goes back into diffuse conditions, these elements are brought back in the gas-phase because of photo-dissociations of the molecules on the ices followed by thermal desorption from the grains. Nothing remains on the grains for densities below 10~cm$^{-3}$ or in the gas-phase in a molecular form. One exception is chlorine, which is efficiently converted at low density. Our current gas-grain chemical model is not able to reproduce the depletion of atoms observed in the diffuse medium except for Cl which gas abundance follows the observed one in medium with densities smaller than 10~cm$^{-3}$. This is an indication that crucial processes (involving maybe chemisorption and/or ice irradiation profoundly modifying the nature of the ices) are missing., Comment: Accepted for publication in MNRAS

CO isotopologue transitions are routinely observed in molecular clouds to probe the column density of the gas, the elemental ratios of carbon and oxygen, and to trace the kinematics of the environment. We aim at estimating the abundances, excitation temperatures, velocity field and velocity dispersions of the three main CO isotopologues towards a subset of the Orion B molecular cloud. We use the Cramer Rao Bound (CRB) technique to analyze and estimate the precision of the physical parameters in the framework of local-thermodynamic-equilibrium excitation and radiative transfer with an additive white Gaussian noise. We propose a maximum likelihood estimator to infer the physical conditions from the 1-0 and 2-1 transitions of CO isotopologues. Simulations show that this estimator is unbiased and efficient for a common range of excitation temperatures and column densities (Tex > 6 K, N > 1e14 - 1e15 cm-2). Contrary to the general assumptions, the different CO isotopologues have distinct excitation temperatures, and the line intensity ratios between different isotopologues do not accurately reflect the column density ratios. We find mean fractional abundances that are consistent with previous determinations towards other molecular clouds. However, significant local deviations are inferred, not only in regions exposed to UV radiation field but also in shielded regions. These deviations result from the competition between selective photodissociation, chemical fractionation, and depletion on grain surfaces. We observe that the velocity dispersion of the C18O emission is 10% smaller than that of 13CO. The substantial gain resulting from the simultaneous analysis of two different rotational transitions of the same species is rigorously quantified. The CRB technique is a promising avenue for analyzing the estimation of physical parameters from the fit of spectral lines., Comment: 27 pages, 23 PDF figures. Accepted for publication in A&A. Uses aa latex macro

The grand-design spiral galaxy M~51 was observed at 40pc resolution in CO(1--0) by the PAWS project. A large number of molecular clouds were identified and we search for velocity gradients in two high signal-to-noise subsamples, containing 682 and 376 clouds. The velocity gradients are found to be systematically prograde oriented, as was previously found for the rather flocculent spiral M~33. This strongly supports the idea that the velocity gradients reflect cloud rotation, rather than more random dynamical forces, such as turbulence. Not only are the gradients prograde, but their $\frac{\partial v}{\partial x}$ and $\frac{\partial v}{\partial y}$ coefficients follow galactic shear in sign, although with a lower amplitude. No link is found between the orientation of the gradient and the orientation of the cloud. The values of the cloud angular momenta appear to be an extension of the values noted for galactic clouds despite the orders of magnitude difference in cloud mass. Roughly 30\% of the clouds show retrograde velocity gradients. For a strictly rising rotation curve, as in M~51, gravitational contraction would be expected to yield strictly prograde rotators within an axisymmetric potential. In M~51, the fraction of retrograde rotators is found to be higher in the spiral arms than in the disk as a whole. Along the leading edge of the spiral arms, a majority of the clouds are retrograde rotators. While this work should be continued on other nearby galaxies, the M~33 and M~51 studies have shown that clouds rotate and that they rotate mostly prograde, although the amplitudes are not such that rotational energy is a significant support mechanism against gravitation. In this work, we show that retrograde rotation is linked to the presence of a spiral gravitational potential., Comment: Accepted by Astronomy and Astrophysics

Aims. Our goal is to complete the inventory of S-bearing molecules and their abundances in the prototypical photodissociation region (PDR) the Horsehead nebula to gain insight into sulphur chemistry in UV irradiated regions. Based on the WHISPER millimeter (mm) line survey, our goal is to provide an improved and more accurate description of sulphur species and their abundances towards the core and PDR positions in the Horsehead. Methods. The Monte Carlo Markov chain (MCMC) methodology and the molecular excitation and radiative transfer code RADEX were used to explore the parameter space and determine physical conditions and beam-averaged molecular abundances. Results. A total of 13 S-bearing species (CS, SO, SO2, OCS, H2CS - both ortho and para - HDCS, C2S, HCS+, SO+, H2S, S2H, NS and NS+) have been detected in the two targeted positions. This is the first detection of SO+ in the Horsehead and the first detection of NS+ in any PDR. We find a differentiated chemical behaviour between C-S and O-S bearing species within the nebula. The C-S bearing species C2S and o-H2CS present fractional abundances a factor grater than two higher in the core than in the PDR. In contrast, the O-S bearing molecules SO, SO2, and OCS present similar abundances towards both positions. A few molecules, SO+, NS, and NS+, are more abundant towards the PDR than towards the core, and could be considered as PDR tracers. Conclusions. This is the first complete study of S-bearing species towards a PDR. Our study shows that CS, SO, and H2S are the most abundant S-bearing molecules in the PDR with abundances of a few 1E-9. We recall that SH, SH+, S, and S+ are not observable at the wavelengths covered by the WHISPER survey. At the spatial scale of our observations, the total abundance of S atoms locked in the detected species is < 1E-8, only ~0.1% of the cosmic sulphur abundance., Comment: 15 pages, 7 figures, 6 tables

The complexity of physico-chemical models of star formation is increasing, with models that take into account new processes and more realistic setups. These models allow astrochemists to compute the evolution of chemical species throughout star formation. Hence, comparing the outputs of such models to observations allows to bring new constraints on star formation. The work presented in this paper is based on the recent public release of a database of radiation hydrodynamical low-mass star formation models. We used this database as physical parameters to compute the time dependent chemical composition of collapsing cores with a 3-phase gas-grain model. The results are analyzed to find chemical tracers of the initial physical parameters of collapse such as the mass, radius, temperature, density, and free-fall time. They are also compared to observed molecular abundances of Class 0 protostars. We find numerous tracers of the initial parameters of collapse, except for the initial mass. More particularly, we find that gas phase CH3CN, NS and OCS trace the initial temperature, while H2CS trace the initial density and free-fall time of the parent cloud. The comparison of our results with a sample of 12 Class 0 low mass protostars allows us to constrain the initial parameters of collapse of low-mass prestellar cores. We find that low-mass protostars are preferentially formed within large cores with radii greater than 20000 au, masses between 2 and 4 Msol, temperatures lower or equal to 15 K, and densities between 6e4 and 2.5e5 part.cm-3, corresponding to free-fall times between 100 and 200 kyrs., Comment: Accepted for publication in MNRAS

Molecular oxygen has been the subject of many observational searches as chemical models predicted it to be a reservoir of oxygen. Although it has been detected in two regions of the interstellar medium, its rarity is a challenge for astrochemical models. In this paper, we have combined the physical conditions computed with smoothed particle hydrodynamics (SPH) simulations with our full gas-grain chemical model Nautilus, to study the predicted O2 abundance in interstellar material forming cold cores. We thus follow the chemical evolution of gas and ices in parcels of material from the diffuse interstellar conditions to the cold dense cores. Most of our predicted O2 abundances are below 1e-8 (with respect to the total proton density) and the predicted column densities in simulated cold cores is at maximum a few 1e14 cm-2, in agreement with the non detection limits. This low O2 abundance can be explained by the fact that, in a large fraction of the interstellar material, the atomic oxygen is depleted onto the grain surface (and hydrogenated to form H2O) before O2 can be formed in the gas-phase and protected from UV photo-dissociations. We could achieve this result only because we took into account the full history of the evolution of the physical conditions from the diffuse medium to the cold cores., Comment: Accepted for publication in MNRAS

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

Filaments are a key step on the path that leads from molecular clouds to star formation. However, their characteristics are heavily debated, and the exact processes that lead to their formation and fragmentation into dense cores still remain to be fully understood. We aim at characterising the mass, kinematics, and stability against gravitational collapse of a statistically significant sample of filaments in the Orion B molecular cloud, which is renown for its very low star formation efficiency. We characterise the gas column densities and kinematics over a field of 1.9 deg$^2$, using C$^{18}$O(J=1-0) data from the IRAM-30m large programme ORION-B. Using two different Hessian-based filters, we extract and compare two filamentary networks, each containing over 100 filaments. Independent of the extraction method, the filaments have widths of 0.12$\pm$0.04 pc, and show a wide range of linear (1 - 100 $M_{\odot}$pc$^{-1}$) and volume densities (2.10$^3$ - 2.10$^5$ cm$^{-3}$). Compared to previous studies, the filament population is dominated by low-density, thermally sub-critical structures, suggesting that most of the identified filaments are not collapsing to form stars. In fact, only ~1% of the Orion B cloud mass covered by our observations can be found in super-critical, star-forming filaments, explaining the low star formation efficiency of the region. The velocity profiles observed across the filaments show quiescence in the centre, and coherency in the plane of the sky, despite being mostly supersonic. The filaments in Orion B apparently belong to a continuum which contains a few elements comparable to already studied star-forming filaments as well as many lower-density, gravitationally unbound structures. This comprehensive study of the Orion B filaments shows that the mass fraction in super-critical filaments is a key factor in determining star formation efficiency., Comment: 22 pages, 15 figures. Accepted by A&A

The diffuse and translucent molecular clouds traced in absorption along the line of sight to strong background sources have so far been investigated mainly in the spectral domain because of limited angular resolution or small sizes of the background sources. We aim to resolve and investigate the spatial structure of molecular clouds traced by several molecules detected in absorption along the line of sight to SgrB2(N). We have used spectral line data from the EMoCA survey performed with ALMA, taking advantage of the high sensitivity and angular resolution. We identify, on the basis of the spectral analysis of c-C3H2 across the field of view, 15 main velocity components along the line of sight to SgrB2(N) and several components in the envelope of SgrB2. The c-C3H2 column densities reveal two categories of clouds. Clouds in Category I (3 kpc arm, 4 kpc arm, and some GC clouds) have smaller c-C3H2 column densities, smaller linewidths, and smaller widths of their column density PDFs than clouds in Category II (Scutum arm, Sgr arm, and other GC clouds). To investigate the spatial structure we derive opacity maps for the following molecules: c-C3H2, H13CO+, 13CO, HNC, HN13C, HC15N, CS, C34S, 13CS, SiO, SO, and CH3OH. These maps reveal that most molecules trace relatively homogeneous structures that are more extended than the field of view defined by the background continuum emission (about 15", that is 0.08-0.6pc depending on the distance). SO and SiO show more complex structures with smaller clumps of size ~5-8". Our analysis suggests that the driving of the turbulence is mainly solenoidal in the investigated clouds. On the basis of HCO+, we conclude that most line-of-sight clouds towards SgrB2 are translucent, including all clouds where complex organic molecules were recently detected. We also conclude that CCH and CH are good probes of H2 in both diffuse and translucent clouds., Comment: Accepted for publication in A&A, 83 pages, 106 figures

Methyl cyanide (CH3CN) and propyne (CH3CCH) are two molecules commonly used as gas thermometers for interstellar gas. They are detected in several astrophysical environments and in particular towards protostars. Using data of the low-mass protostar IRAS 16293-2422 obtained with the IRAM 30m single-dish telescope, we constrained the origin of these two molecules in the envelope of the source. The line shape comparison and the results of a radiative transfer analysis both indicate that the emission of CH3CN arises from a warmer and inner region of the envelope than the CH3CCH emission. We compare the observational results with the predictions of a gas-grain chemical model. Our model predicts a peak abundance of CH3CCH in the gas-phase in the outer part of the envelope, at around 2000 au from the central star, which is relatively close to the emission size derived from the observations. The predicted CH3CN abundance only rises at the radius where the grain mantle ices evaporate, with an abundance similar to the one derived from the observations.

Context: Diffusion of species on the dust surface is a key process for determining the chemical composition of interstellar ices. On the dust surface, adsorbed species diffuse from one potential well to another and react with other adsorbed reactants, resulting in the formation of simple and complex molecules. Aims: We study the impact on the abundances of the species simulated by the chemical codes by considering the uncertainties in the diffusion energy of adsorbed species. We aim to limit the uncertainties in the abundances as calculated by chemical codes by identifying the surface species that result in a larger error because of the uncertainties in their diffusion energy. Methods: We ran various cases with 2000 to 10000 simulations in each case and varied the diffusion energies of some or all surface species randomly. We calculated Pearson correlation coefficients between the abundances and the ratio of diffusion to binding energy of adsorbed species. We identified the species that introduce maximum uncertainty in the ice and gas-phase abundances. With these species we ran three sets, with 2000 simulations in each, to quantify the uncertainties they introduce. Results: We present the abundances of various molecules in the gas phase and also on the dust surface at different time intervals during the simulation. We show which species produce a large uncertainty in the abundances. We sorted species into different groups in accordance with their importance in propagating uncertainty in the chemical network. Conclusions: We show that CO, H$_2$, O, N, and CH$_3$ are the key species for uncertainties in the abundances, while CH$_2$, HCO, S and O$_2$ come next, followed by NO, HS, and CH. We also show that by limiting the uncertainties in the ratio of diffusion to binding energy of these species, we can eliminate the uncertainties in the gas-phase abundances of almost all the species., Comment: accepted for publication in A&A

GEMS is an IRAM 30m Large Program whose aim is determining the elemental depletions and the ionization fraction in a set of prototypical star-forming regions. This paper presents the first results from the prototypical dark cloud TMC 1. Extensive millimeter observations have been carried out with the IRAM 30m telescope (3mm and 2mm) and the 40m Yebes telescope (1.3cm and 7mm) to determine the fractional abundances of CO, HCO+, HCN, CS, SO, HCS+, and N2H+ in three cuts which intersect the dense filament at the well-known positions TMC 1-CP, TMC 1-NH3, and TMC 1-C, covering a visual extinction range from Av~3 to ~20mag. Two phases with differentiated chemistry can be distinguished: i) the translucent envelope with molecular hydrogen densities of (1-5)x10$^3$ cm$^{-3}$; and ii) the dense phase, located at Av>10mag, with molecular hydrogen densities >10$^4$ cm$^{-3}$. Observations and modeling show that the gas phase abundances of C and O progressively decrease along the C+/C/CO transition zone where C/H~8x10$^{-5}$ and C/O~0.8-1, until the beginning of the dense phase at Av~10 mag. This is consistent with the grain temperatures being below the CO evaporation temperature in this region. In the case of sulfur, a strong depletion should occur before the translucent phase where we estimate a S/H~(0.4 - 2.2) x10$^{-6}$, an abundance ~7-40 times lower than the solar value. A second strong depletion must be present during the formation of the thick icy mantles to achieve the values of S/H measured in the dense cold cores (S/H~8x10$^{-8}$). Based on our chemical modeling, we constrain the value of $\zeta_{\rm H_2}$ to ~(0.5 - 1.8) x10$^{-16}$ s$^{-1}$ in the translucent cloud., Comment: 26 pages, 20 figures, A&A in press

The protonated form of CO2, HOCO+, is assumed to be an indirect tracer of CO2 in the millimeter/submillimeter regime since CO2 lacks a permanent dipole moment. Here, we report the detection of two rotational emission lines (4 0,4-3 0,3) and (5 0,5-4 0,4) of HOCO+ in IRAS 16293-2422. For our observations, we have used EMIR heterodyne 3 mm receiver of the IRAM 30m telescope. The observed abundance of HOCO+ is compared with the simulations using the 3-phase NAUTILUS chemical model. Implications of the measured abundances of HOCO+ to study the chemistry of CO2 ices using JWST-MIRI and NIRSpec are discussed as well., Comment: Accepted for publication in MNRAS on March 13th, 7 pages, 3 figures, 2 tables

Formation mechanism of a supergiant H II region NGC 604 is discussed in terms of collision of H I clouds in M33. An analysis of the archival H I data obtained with the Very Large Array (VLA) reveals complex velocity distributions around NGC 604. The H I clouds are composed of two velocity components separated by ~ 20 km s^-1 for an extent of ~ 700 pc, beyond the size of the the H II region. Although the H I clouds are not easily separated in velocity with some mixed component represented by merged line profiles, the atomic gas mass amounts to 6 x 10^6 M_Sol and 9 x 10^6 M_Sol for each component. These characteristics of H I gas and the distributions of dense molecular gas in the overlapping regions of the two velocity components suggest that the formation of giant molecular clouds and the following massive cluster formation have been induced by the collision of H I clouds with different velocities. Referring to the existence of gas bridging feature connecting M33 with M31 reported by large-scale HI surveys, the disturbed atomic gas possibly represent the result of past tidal interaction between the two galaxies, which is analogous to the formation of the R136 cluster in the LMC., Comment: 10 pages, 11 figures, Accepted for publication in the Publications of the Astronomical Society of Japan

The relative abundance of the dust grain types in the interstellar medium (ISM) is directly linked to physical quantities that trace the evolution of galaxies. We study the dust properties of the whole disc of M33 at spatial scales of ~170 pc. This analysis allows us to infer how the relative dust grain abundance changes with the conditions of the ISM, study the existence of a submillimetre excess and look for trends of the gas-to-dust mass ratio (GDR) with other physical properties of the galaxy. For each pixel in the disc of M33 we fit the infrared SED using a physically motivated dust model that assumes an emissivity index beta close to 2. We derive the relative amount of the different dust grains in the model, the total dust mass, and the strength of the interstellar radiation field (ISRF) heating the dust at each spatial location. The relative abundance of very small grains tends to increase, and for big grains to decrease, at high values of Halpha luminosity. This shows that the dust grains are modified inside the star-forming regions, in agreement with a theoretical framework of dust evolution under different physical conditions. The radial dependence of the GDR is consistent with the shallow metallicity gradient observed in this galaxy. The strength of the ISRF derived in our model correlates with the star formation rate in the galaxy in a pixel by pixel basis. Although this is expected it is the first time that a correlation between both quantities is reported. We produce a map of submillimetre excess in the 500 microns SPIRE band for the disc of M33. The excess can be as high as 50% and increases at large galactocentric distances. We further study the relation of the excess with other physical properties of the galaxy and find that the excess is prominent in zones of diffuse ISM outside the main star-forming regions, where the molecular gas and dust surface density are low., Comment: Accepted to Astronomy and Astrophysics, 19 pages, 18 figures plus appendix

The sample of 566 molecular clouds identified in the CO(2--1) IRAM survey covering the disk of M~33 is explored in detail.The clouds were found using CPROPS and were subsequently catalogued in terms of their star-forming properties as non-star-forming (A), with embedded star formation (B), or with exposed star formation C.We find that the size-linewidth relation among the M~33 clouds is quite weak but, when comparing with clouds in other nearby galaxies, the linewidth scales with average metallicity.The linewidth and particularly the line brightness decrease with galactocentric distance.The large number of clouds makes it possible to calculate well-sampled cloud mass spectra and mass spectra of subsamples.As noted earlier, but considerably better defined here, the mass spectrum steepens (i.e. higher fraction of small clouds) with galactocentric distance.A new finding is that the mass spectrum of A clouds is much steeper than that of the star-forming clouds.Further dividing the sample, this difference is strong at both large and small galactocentric distances and the A vs C difference is a stronger effect than the inner/outer disk difference in mass spectra.Velocity gradients are identified in the clouds using standard techniques.The gradients are weak and are dominated by prograde rotation; the effect is stronger for the high signal-to-noise clouds.A discussion of the uncertainties is presented.The angular momenta are low but compatible with at least some simulations.The cloud and galactic gradients are similar; the cloud rotation periods are much longer than cloud lifetimes and comparable to the galactic rotation period.The rotational kinetic energy is 1-2\% of the gravitational potential energy and the cloud edge velocity is well below the escape velocity, such that cloud-scale rotation probably has little influence on the evolution of molecular clouds., Comment: Accepted for publication in Astronomy and Astrophysics, 11 pages

Aims. We study the effect of large scale dynamics on the molecular composition of the dense interstellar medium during the transition between diffuse to dense clouds. Methods. We followed the formation of dense clouds (on sub-parsec scales) through the dynamics of the interstellar medium at galac- tic scales. We used results from smoothed particle hydrodynamics (SPH) simulations from which we extracted physical parameters that are used as inputs for our full gas-grain chemical model. In these simulations, the evolution of the interstellar matter is followed for ~50 Myr. The warm low-density interstellar medium gas flows into spiral arms where orbit crowding produces the shock formation of dense clouds, which are held together temporarily by the external pressure. Results. We show that depending on the physical history of each SPH particle, the molecular composition of the modeled dense clouds presents a high dispersion in the computed abundances even if the local physical properties are similar. We find that carbon chains are the most affected species and show that these differences are directly connected to differences in (1) the electronic fraction, (2) the C/O ratio, and (3) the local physical conditions. We argue that differences in the dynamical evolution of the gas that formed dense clouds could account for the molecular diversity observed between and within these clouds. Conclusions. This study shows the importance of past physical conditions in establishing the chemical composition of the dense medium., Comment: 15 pages, 15 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

Previous attempts at segmenting molecular line maps of molecular clouds have focused on using position-position-velocity data cubes of a single line to separate the spatial components of the cloud. In contrast, wide field spectral imaging with large spectral bandwidth in the (sub)mm domain now allows to combine multiple molecular tracers to understand the different physical and chemical phases that constitute giant molecular clouds. We aim at using multiple tracers (sensitive to different physical processes) to segment a molecular cloud into physically/chemically similar regions (rather than spatially connected components). We use a machine learning clustering method (the Meanshift algorithm) to cluster pixels with similar molecular emission, ignoring spatial information. Simple radiative transfer models are used to interpret the astrophysical information uncovered by the clustering. A clustering analysis based only on the J=1-0 lines of 12CO, 13CO and C18O reveals distinct density/column density regimes (nH~100, 500, and >1000 cm-3), closely related to the usual definitions of diffuse, translucent and high-column-density regions. Adding two UV-sensitive tracers, the (1-0) lines of HCO+ and CN, allows us to distinguish two clearly distinct chemical regimes, characteristic of UV-illuminated and UV-shielded gas. The UV-illuminated regime shows overbright HCO+ and CN emission, which we relate to photochemical enrichment. We also find a tail of high CN/HCO+ intensity ratio in UV-illuminated regions. Finer distinctions in density classes (nH~7E3, and 4E4 cm-3) for the densest regions are also identified, likely related to the higher critical density of the CN and HCO+ (1-0) lines. The association of simultaneous multi-line, wide-field mapping and powerful machine learning methods such as the Meanshift algorithm reveals how to decode the complex information available in molecular tracers., Comment: Accepted for publication in A&A. 26 pages and 23 figures. The associated data products will soon be available at http://www.iram.fr/~pety/ORION-B

Methyl isocyanate (CH3NCO) is one of the important complex organic molecules detected on the comet 67P/Churyumov-Gerasimenko by Rosetta's Philae lander. It was also detected in hot cores around high-mass protostars along with a recent detection in the solar-type protostar IRAS 16293-2422. We propose here a gas-grain chemical model to form CH3NCO after reviewing various formation pathways with quantum chemical computations. We have used NAUTILUS 3-phase gas-grain chemical model to compare observed abundances in the IRAS 16293-2422. Our chemical model clearly indicates the ice phase origin of CH3NCO., Comment: Accepted for publication in MNRAS Letters

We report the detection of linear and cyclic isomers of C3H and C3H2 towards various starless cores and review the corresponding chemical pathways involving neutral (C3Hx with x=1,2) and ionic (C3Hx+ with x = 1,2,3) isomers. We highlight the role of the branching ratio of electronic Dissociative Recombination (DR) reactions of C3H2+ and C3H3+ isomers showing that the statistical treatment of the relaxation of C3H* and C3H2* produced in these DR reactions may explain the relative c,l-C3H and c,l-C3H2 abundances. We have also introduced in the model the third isomer of C3H2 (HCCCH). The observed cyclic-to-linear C3H2 ratio vary from 110 + or - 30 for molecular clouds with a total density around 1e4 molecules.cm-3 to 30 + or - 10 for molecular clouds with a total density around 4e5 molecules.cm-3, a trend well reproduced with our updated model. The higher ratio for low molecular cloud densities is mainly determined by the importance of the H + l-C3H2 -> H + c-C3H2 and H + t-C3H2 -> H + c-C3H2 isomerization reactions., Comment: Accepted for publication in MNRAS

A wide variety of molecules have recently been detected in the Horsehead nebula photodissociation region (PDR) suggesting that: (i) gas-phase and grain chemistries should both contribute to the formation of organic molecules, and (ii) far-ultraviolet (FUV) photodesorption may explain the release into the gas phase of grain surface species. In order to tackle these specific problems and more generally in order to better constrain the chemical structure of these types of environments we present a study of the Horsehead nebula gas-grain chemistry. To do so we used the 1D astrochemical gas-grain code Nautilus with an appropriate physical structure computed with the Meudon PDR Code and compared our modeled outcomes with published observations and with previously modeled results when available. The use of a large set of chemical reactions coupled with the time-dependent code Nautilus allows us to reproduce most of the observations well, including those of the first detections in a PDR of the organic molecules HCOOH, CH2CO, CH3CHO and CH3CCH, which are mostly associated with hot cores. We also provide some abundance predictions for other molecules of interest. Understanding the chemistry behind the detection of these organic molecules is crucial to better constrain the environments these molecules can probe., Comment: 17 pages, 10 figures, 4 tables, accepted for publication in A&A

Sulphur-bearing species are often used to probe the physical structure of star forming regions of the interstellar medium, but the chemistry of sulphur in these regions is still poorly understood. In dark clouds, sulphur is supposed to be depleted under a form which is still unknown despite numerous observations and chemical modeling studies that have been performed. In order to improve the modeling of sulphur chemistry, we propose an enhancement of the sulphur chemical network using experimental and theoretical literature. We test the effect of the updated network on the outputs of a three phases gas-grain chemical model for dark cloud conditions using different elemental sulphur abundances. More particularly, we focus our study on the main sulphur reservoirs as well as on the agreement between model predictions and the abundances observed in the dark cloud TMC-1 (CP). Our results show that depending on the age of the observed cloud, the reservoir of sulphur could either be atomic sulphur in the gas-phase or HS and H2S in icy grain bulks. We also report the first chemical model able to reproduce the abundances of observed S-bearing species in TMC-1 (CP) using as elemental abundance of sulphur its cosmic value.

To shed light on the time evolution of local star formation episodes in M33, we study the association between 566 Giant Molecular Clouds (GMCs), identified through the CO (J=2-1) IRAM-all-disk survey, and 630 Young Stellar Cluster Candidates (YSCCs), selected via Spitzer-24~$\mu$m emission. The spatial correlation between YSCCs and GMCs is extremely strong, with a typical separation of 17~pc, less than half the CO(2--1) beamsize, illustrating the remarkable physical link between the two populations. GMCs and YSCCs follow the HI filaments, except in the outermost regions where the survey finds fewer GMCs than YSCCs, likely due to undetected, low CO-luminosity clouds. The GMCs have masses between 2$\times 10^4$ and 2$\times 10^6$ M$_\odot$ and are classified according to different cloud evolutionary stages: inactive clouds are 32$\%$ of the total, classified clouds with embedded and exposed star formation are 16$\%$ and 52$\%$ of the total respectively. Across the regular southern spiral arm, inactive clouds are preferentially located in the inner part of the arm, possibly suggesting a triggering of star formation as the cloud crosses the arm. Some YSCCs are embedded star-forming sites while the majority have GALEX-UV and H$\alpha$ counterparts with estimated cluster masses and ages. The distribution of the non-embedded YSCC ages peaks around 5~Myrs with only a few being as old as 8--10~Myrs. These age estimates together with the number of GMCs in the various evolutionary stages lead us to conclude that 14~Myrs is a typical lifetime of a GMC in M33, prior to cloud dispersal. The inactive and embedded phases are short, lasting about 4 and 2~Myrs respectively. This underlines that embedded YSCCs rapidly break out from the clouds and become partially visible in H$\alpha$ or UV long before cloud dispersal., Comment: 18 pages, 17 figures, Accepted for publication in A&A

Cyclic-C3HD (c-C3HD) is a singly deuterated isotopologue of c-C3H2, which is one of the most abundant and widespread molecules in our Galaxy. We observed IRAS 16293-2422 in the 3 mm band with a single frequency setup using the EMIR heterodyne 3 mm receiver of the IRAM 30m telescope. We observed seven lines of c-C3HD and three lines of c-C3H2. Observed abundances are compared with astrochemical simulations using the NAUTILUS gas-grain chemical model. Our results clearly show that c-C3HD can be used as an important supplement for studying chemistry and physical conditions for cold environments. Assuming that the size of the protostellar envelope is 3000 AU and same excitation temperatures for both c-C3H2 and c-C3HD, we obtain a deuterium fraction of $14_{-3}^{+4}\%$., Comment: Accepted for publication in MNRAS

Context. The combination of wideband receivers and spectrometers currently available in (sub-)millimeter observatories deliver wide- field hyperspectral imaging of the interstellar medium. Tens of spectral lines can be observed over degree wide fields in about fifty hours. This wealth of data calls for restating the physical questions about the interstellar medium in statistical terms. Aims. We aim at gaining information on the physical structure of the interstellar medium from a statistical analysis of many lines from different species over a large field of view, without requiring detailed radiative transfer or astrochemical modeling. Methods. We coupled a nonlinear rescaling of the data with one of the simplest multivariate analysis methods, namely the Principal Component Analysis, to decompose the observed signal into components that we interpret first qualitatively and then quantitatively based on our deep knowledge of the observed region and of the astrochemistry at play. Results. We identify 3 principal components, linear compositions of line brightness temperatures, that are correlated at various levels with the column density, the volume density and the UV radiation field. Conclusions. When sampling a sufficiently diverse mixture of physical parameters, it is possible to decompose the molecular emission in order to gain physical insight on the observed interstellar medium. This opens a new avenue for future studies of the interstellar medium., Comment: Accepted for publication in Astronomy & Astrophysics

The nature of turbulence in molecular clouds is one of the key parameters that control star formation efficiency: compressive motions, as opposed to solenoidal motions, can trigger the collapse of cores, or mark the expansion of Hii regions. We try to observationally derive the fractions of momentum density ($\rho v$) contained in the solenoidal and compressive modes of turbulence in the Orion B molecular cloud and relate these fractions to the star formation efficiency in the cloud. The implementation of a statistical method developed by Brunt & Federrath (2014), applied to a $^{13}$CO(J=1-0) datacube obtained with the IRAM-30m telescope, allows us to retrieve 3-dimensional quantities from the projected quantities provided by the observations, yielding an estimate of the compressive versus solenoidal ratio in various regions of the cloud. Despite the Orion B molecular cloud being highly supersonic (mean Mach number $\sim$ 6), the fractions of motion in each mode diverge significantly from equipartition. The cloud's motions are on average mostly solenoidal (excess > 8 % with respect to equipartition), which is consistent with its low star formation rate. On the other hand, the motions around the main star-forming regions (NGC 2023 and NGC 2024) prove to be strongly compressive. We have successfully applied to observational data a method that was so far only tested on simulations, and have shown that there can be a strong intra-cloud variability of the compressive and solenoidal fractions, these fractions being in turn related to the star formation efficiency. This opens a new possibility for star-formation diagnostics in galactic molecular clouds., Comment: accepted by A&A

Deuterated species are unique and powerful tools in astronomy since they can probe the physical conditions, chemistry, and ionization level of various astrophysical media. Recent observations of several deuterated species along with some of their spin isomeric forms have rekindled the interest for more accurate studies on deuterium fractionation. This paper presents the first publicly available chemical network of multiply deuterated species along with spin chemistry implemented on the latest state-of-the-art gas-grain chemical code `NAUTILUS'. D/H ratios for all deuterated species observed at different positions of TMC-1 are compared with the results of our model, which considers multiply deuterated species along with the spin chemistry of light hydrogen bearing species H2, H2+, H3+ and their isotopologues. We also show the differences in the modeled abundances of non-deuterated species after the inclusion of deuteration and spin chemistry in the model. Finally, we present a list of potentially observable deuterated species in TMC-1 awaiting detection., Comment: Accepted for publication in MNRAS on Dec. 22nd

(abridged) In this work we have a closer look at the gas content or fraction and the associated star formation rate in main sequence and starburst galaxies at z=0 and z~1-2 by applying an analytical model of galactic clumpy gas disks to samples of local spiral galaxies, ULIRGs, submillimeter (smm), and high-z starforming galaxies. The model gas and dust temperatures are determined by the heating and cooling equilibrium. Dense clouds are heated by turbulent mechanical and cosmic ray heating. The molecular abundances of individual gas clouds are determined by a detailed chemical network involving the cloud lifetime, density, and temperature. Molecular line emission is calculated with an escape probability formalism. The model calculates simultaneously the total gas mass, HI/H_2 mass, the gas velocity dispersion, IR luminosity, IR spectral energy distribution, CO spectral line energy distribution (SLED), HCN(1-0), and HCO+(1-0) emission of a galaxy given its size, integrated star formation rate, stellar mass radial profile, rotation curve, and Toomre Q parameter. The model reproduces the observed CO luminosities and SLEDs of all sample galaxies within the model uncertainties (~0.3 dex). Whereas the CO emission is robust against the variation of model parameters, the HCN and HCO+ emission is sensitive to the chemistry of the interstellar medium. The CO and HCN mass-to-light conversion factors including CO-dark H_2 are given and compared to the values found in the literature. Both, the HCN and HCO+ emission trace the dense molecular gas to a factor of ~2 for the local spiral galaxies, ULIRGs and smm-galaxies. About 80% of the molecular line emission of compact starburst galaxies originates in non-selfgravitating gas clouds. The integrated Kennicutt-Schmidt law has a slope of ~1 for the local spirals, ULIRGs, and smm-galaxies, whereas the slope is 1.7 for high-z starforming galaxies., Comment: accepted for publication in A&A; corrected version The smm and high-z starforming galaxies were erroneously treated as if they were local galaxies. This lead to differences in the CO fluxes of about 10% and in the HCN and HCO+ fluxes of about 25-30%. Given that the model uncertainties are of the order of a factor of 2 (Sect. 4), this does not change the discussion nor the conclusions

We aim to develop the Orion B Giant Molecular Cloud (GMC) as a local template for interpreting extra-galactic molecular line observations. We use the wide-band receiver at the IRAM-30m to spatially and spectrally resolve the Orion B GMC. The observations cover almost 1 square degree at 26" resolution with a bandwidth of 32 GHz from 84 to 116 GHz in only two tunings. Among the mapped spectral lines are the 12CO, 13CO, C18O, C17O, HCN, HNC, 12CN, CCH, HCO+, N2H+ (1-0), and 12CS, 32SO, SiO, c-C3H2, CH3OH (2-1) transitions. We introduce the molecular anatomy of the Orion B GMC, including relations between line intensities and gas column density or far-UV radiation fields, and correlations between selected line and line ratios. We also obtain a dust-traced gas mass that is less than about one third the CO-traced mass, using the standard Xco conversion factor. The presence of overluminous CO can be traced back to the dependence of the CO intensity on UV illumination. In fact, while most lines show some dependence on the UV radiation field, CN and CCH are the most sensitive. Moreover dense cloud cores are almost exclusively traced by N2H+. Other traditional high density tracers, such as HCN (1-0), are also easily detected in extended translucent regions at a typical density of about 500 H2 cm-3. In general, we find no straightforward relation between line critical density and the fraction of the line luminosity coming from dense gas regions. Our initial findings demonstrate that the relations between line (ratio) intensities and environment in GMCs are more complicated than often assumed. Sensitivity (i.e., the molecular column density), excitation, and above all chemistry contribute to the observed line intensity distributions. They must be considered together when developing the next generation of extra-galactic molecular line diagnostics of mass, density, temperature and radiation field., Comment: 32 pages, 29 PDF figures. Accepted for publication in A&A. Uses aa and natbib latex macros

Recent detections of complex organic molecules in dark clouds have rekindled interest in the astrochemical modeling of these environments. Because of its relative closeness and rich molecular complexity, TMC-1 has been extensively observed to study the chemical processes taking place in dark clouds. We use local thermodynamical equilibrium radiative transfer modeling coupled with a Bayesian statistical method which takes into account outliers to analyze the data from the Nobeyama spectral survey of TMC-1 between 8 and 50 GHz. We compute the abundance relative to molecular hydrogen of 57 molecules, including 19 isotopologues in TMC-1 along with their associated uncertainty. The new results are in general agreement with previous abundance determination from Ohishi & Kaifu and the values reported in the review from Agundez & Wakelam. However, in some cases, large opacity and low signal to noise effects allow only upper or lower limits to be derived, respectively., Comment: Accepted for publication in ApJS