arXiv subjects

G. Esplugues

Publications and source records attributed to G. Esplugues.

17 recordsLinked to original sources

arXiv2026

Evolution of Chemistry in the envelope of HOt corinoS (ECHOS). III. Sulphur chemistry in the Class 0 objects HH 212 and NGC 1333 IRAS 4A

Our goal is to find chemical diagnostics to determine the physical conditions in protostellar envelopes and help establish the development of matter during the formation of a low-mass star, as well as investigating a possible variation of sulphur depletion during the star formation process at the scale of the cold envelope. With observations with the Yebes-40m and IRAM-30m telescopes, we estimate column densities of sulphur-bearing species in the Class 0 objects HH212 and NGC1333 IRAS4A. A neural emulator of the chemical code Nautilus is used to constrain the chemical time, density, gas temperature, cosmic ray ionization rate, and sulphur elemental abundance in the cold envelope of these objects. We compare the resulting abundances of these species with those towards the Class 0 object B335. While sulphur-bearing species containing carbon chains are between 3 and 7 times more abundant in B335 than in the other two objects, sulphur oxides and nitrogen-bearing species are 3 times more abundant in NGC1333 IRAS4A. Our chemical modelling shows that, while the chemistry of HH212 and NGC1333 IRAS4A is well reproduced considering a gas temperature of 25 K and a sulphur depletion of a factor of 100 in their envelopes, significant differences are found in their average density and cosmic ray ionization rate. Comparing with similar studies in pre-stellar and protostellar cores, we derive an increase in the SO/CS and SO$_2$/C$_2$S ratios of about two orders of magnitude and a potential decrease in the HCS$^+$/CS ratio of a factor of 10 in the transition from the pre-stellar to the Class 0 phase. Sulphur compounds are good evolutionary tracers of the pre- to protostellar phase transition, with oxygen-bearing species being more abundant than those containing carbon in the evolved sources. Nonetheless, sulphur depletion in the cold envelope of Class 0 objects remains similar to that in starless cores.

astro-ph.GA↗

arXiv2026

Class I CH3OH Maser Emission from Bar-Driven Inflow Colliding with the Central Molecular Zone

The Central Molecular Zone of the Milky Way is shaped by the interplay of bar-driven inflows, shocks, and star formation. At Galactic longitude l=1.3, gas inflowing along the near-side dust lane has been proposed to interact with the CMZ boundary and overshoot above the Galactic plane, making this a key site to investigate how large-scale gas dynamics regulates star formation. We aim to investigate the presence of Class I methanol maser emission in this transitional region, testing whether large-scale gas interactions in the CMZ can trigger widespread maser activity via star formation or shocks. We conducted a dedicated search for the 36.2 and 44.1 GHz Class I CH3OH maser lines, along with the 48.4 GHz thermal transition, using the Yebes 40m telescope. We complemented these data with archival data from the Herschel-HiGAL survey and the CHIMPS2 survey to explore links between masers, shocks, and star formation. We detect widespread 36.2 GHz maser emission and two candidate 44.1 GHz masers in a region extending several parsecs. The brightest maser has an isotropic luminosity 0.9x10^-3 L_Sun, placing it among the most luminous Galactic Class I masers. Thermal CH3OH and SiO emission extend over mapped area of 24 pc, with both species showing enhanced fractional abundances. CO position-velocity analysis further shows that the masers are associated with an extended velocity feature at VLSR~100 km/s. We conclude that the observed masers are primarily associated with shock-processed gas in a kinematically complex bar-CMZ interface region. Large-scale gas interactions are likely to play an important role in producing the maser emission, although a subset of the masers may also be linked to shocks driven by local star-formation activity. This region therefore provides a promising Galactic analogue of shock-dominated Class I CH3OH maser environments observed in nuclear regions of barred galaxies.

astro-ph.GA↗

arXiv2026

Chemical study of two starless cores in the B213/L1495 filament

The chemical evolution of pre-stellar cores during their transition to a protostellar stage is not yet fully understood. Detailed chemical characterizations of these sources are needed to better define their chemistry during star formation. Our goal is to characterize the chemistry of the starless cores C2 and C16 in the B213/L1495 filament of the Taurus Molecular Cloud, and to understand how it relates to the environmental conditions and the evolutionary state of the cores. We made use of two complete spectral surveys at 7 mm of these sources, carried out using the Yebes 40-m telescope. Derived molecular abundances were compared with those of other sources in different evolutionary stages and with values computed by chemical models. Including isotopologs, 22 molecules were detected in B213-C2, and 25 in B213-C16. The derived rotational temperatures have values of between $\sim$ 5 K and $\sim$ 9 K. A comparison of the two sources shows lower abundances in C2, except for l-C$_{3}$H and HOCO$^{+}$, which have similar values in both cores. Model results indicate that both cores are best fit assuming early-time chemistry, and point to C2 being in a more advanced evolutionary stage, as it presents a higher molecular hydrogen density and sulfur depletion, and a lower cosmic-ray ionization rate. Our chemical modeling successfully accounts for the abundances of most molecules, including complex organic molecules and long cyanopolynes (HC$_{5}$N, HC$_{7}$N), but fails to reproduce those of the carbon chains CCS and C$_{3}$O. Chemical differences between C2 and C16 could stem from the evolutionary stage of the cores, with C2 being closer to the pre-stellar phase. Both cores are better fit assuming early-time chemistry of t $\sim$ 0.1 Myr. The more intense UV radiation in the northern region of B213 could account for the high abundances of l-C$_{3}$H and HOCO$^{+}$ in C2.

astro-ph.GA↗

arXiv2025

Observations of sulfuretted species in HL Tau

Protoplanetary disks inherit their chemical composition from their natal molecular cloud, but the extent to which this material is preserved versus reset through chemical reprocessing remains an open question. Understanding this balance is a major topic in astrochemistry. Comparing the chemical composition of the envelope and the protoplanetary disk is key to solving the topic. The goal of this paper is to investigate the chemical differences between the disk and the surrounding envelope by comparing the column density ratios of a few selected species in each region. The source we focus on is HL Tau. We present new NOEMA observations of HL Tau targeting the following species: CS, H2CO, H2S, and SO2. We produced zeroth-, first-, and second-moment maps for the species where emission was detected and used them to analyze the spatial distribution and kinematic properties of the different molecules in the disk and the envelope. We derived the column densities and compared the values derived for the envelope and disk. We also computed the rotational diagram for the SO2 detected transitions. Assuming two different temperature regimes, 17 and 58 K, we derived column densities for the species surveyed in the disk and compared them with values derived for the envelope. We find large differences in the derived column density ratios of the surveyed molecules, especially for N(CS)/N(H2S), which is 40 to 50 times larger in the envelope. We attribute these variations to the different excitation and UV-irradiation regimes in the disk and envelope. We also note strong gradients in the ratios between different positions of the disk and tentatively attribute them to different levels of turbulence at different azimuths. The observed differences in molecular ratios in the envelope and the disk are suggestive of chemical reprocessing of the gas during the formation and evolution of the protoplanetary disk.

astro-ph.SR↗

arXiv2025

Discovery of linear propadienone: Study of the chemistry of linear and cyclic H$_2$C$_3$O and H$_2$C$_3$S in TMC-1

We report the first detection in space of propadienone, the linear isomer (l-H$_2$C$_3$O) of cyclopropenone (c-H$_2$C$_3$O). We also report the first detection of the isotopologue c-H$_2$$^{13}$CCCO, and c-HDCCCO of c-H$_2$C$_3$O. The astronomical observations are part of QUIJOTE, a line survey of TMC-1 in the frequency range 31.0-50.3 GHz, complemented with data between 71.6-116.0 GHz, and carried out with Yebes-40m and IRAM-30m telescopes, respectively. We obtain a total column density of 3.7$\times$10$^{10}$ cm$^{-2}$ for l-H$_2$C$_3$O at an excitation temperature of 4.8 K. We find that the isomer is about eight times less abundant than the cyclic one. We also report a detailed line-by-line study of cyclopropenethione (c-H$_2$C$_3$S) to compare the abundance of the O and S isomers. We find that cyclic O-isomers are more abundant than cyclic S-isomers; however, the opposite trend is found for the most stable linear isomers, with l-H$_2$C$_3$S being more than one order of magnitude more abundant than l-H$_2$C$_3$O. A comprehensive theoretical chemical analysis shows that the abundances of the H$_2$C$_3$O and H$_2$C$_3$S isomers are controlled by different formation pathways. In particular, while l-H$_2$C$_3$O is potentially produced by dissociative electron recombination reactions, ion-neutral chemistry is more effective at producing l-H$_2$C$_3$S and c-H$_2$C$_3$S.

astro-ph.GA↗

arXiv2025

A quest for sulfur-bearing refractory species. Identification of CaS in the interstellar medium

The recent detection of refractory molecules in massive star-forming regions provides a means of probing the innermost regions of disks around massive stars. These detections also make it possible to explore the chemical composition of refractories through gas-phase observations. In this regard, identifying refractory compounds containing sulfur could reveal potential connections between sulfur and refractories, as well as help determine the sulfur budget in these extreme environments. We find convincing evidence of a reliable detection of CaS, and tentative detections of KS and KSH in the disk G351.77-mm1. These are the first ever identifications of these species in the interstellar medium. The CaS, KS, and KSH column densities are about 3 orders of magnitude lower than those of the abundant sulfur compounds SO$_2$, CH$_3$SH and SiS, proving that these species are not the major reservoir of sulfur at the spatial scales probed by our observations. Higher angular resolution observations at different wavelengths are required to confirm these detections, which are of paramount importance to gain insights into the formation of gas-phase refractory molecules.

astro-ph.GA↗

arXiv2025

Gas-phase Elemental abundances in Molecular cloudS (GEMS) XI. The evolution of HCN, HNC, and N2H+ isotopic ratios in starless cores

Isotopic ratios have been used as chemical diagnostics to investigate the origin of the material in the Solar System. We have determined the HCN, HNC, and N2H+ isotopic ratios and the chemical age in a large sample of 23 starless cores located in different environments. This work uses IRAM 30m data to constrain the D/H ratio of HCN, HNC, and N2H+ as well as the 14N/15N ratio of HCN and HNC. The observed abundances have been modeled using the chemical code DNAUTILUS 2.0. Deuterated compounds are detected in all of our sample cores, with average DNC/HNC, DCN/HCN, and N2D+/N2H+ values of 0.054$\pm$0.019, 0.036$\pm$0.033, and 0.15$\pm$0.11, respectively. The deuterium fractions (Dfrac) show a weak correlation with temperature and a large scatter that reflects that other factors such as core evolution could also play a significant role. Our chemical model is able to reproduce all the observed values with 0.2-0.3 Myr in Taurus and 0.3-0.5 Myr in Perseus and Orion. The 14N/15N isotopic ratio is found to be different between HCN/HC15N (430$\pm$120) and HNC/H15NC (296$\pm$64). We find no correlation between these ratios and the deuterium fractions, but we report a weak correlation with temperature. The Dfrac of HCN, HNC, and N2H+ can be used as evolutionary tracers of starless cores as long as the physical parameters are well constrained. The HCN/HC15N and HNC/H15NC ratios are not correlated with Dfrac, suggesting that the detected variations are not correlated with the core evolutionary stage. The average value of the HCN/HC15N ratio in our sample is significantly higher than the values measured in protostars and protoplanetary disks, possibly indicating that nitrogen fractionation processes are taking place during the protostellar phase.

astro-ph.GA↗

arXiv2025

First detection of HS2 in a cold dark cloud

We report the first detection of HS2 towards the cold dark cloud TMC-1. This is the first observation of a chemical species containing more than one sulphur atom in this type of sources. The astronomical observations are part of QUIJOTE, a line survey of TMC-1 in the Q band (31-50 GHz). The detection is confirmed by the observation of the fine and hyperfine components of two rotational transitions (2(0,2)-1(0,1) and 3(0,3)-2(0,2)). Assuming a rotational temperature of 7 K, we derived an HS2 column density of 5.7x10^11 cm-2, using a local thermodynamic equilibrium model that reproduces the observed spectra. The abundance of HS2 relative to H2 is 5.7x10^-11, which means that it is about seven times more abundant than its oxygenated counterpart HSO. We also explored the main formation and destruction mechanisms of HS2 using a chemical model, which reproduces the observed abundance of HS2 and indicates that dissociative recombination reactions from the ions H2S2+ and H3S2+ play a major role in forming HS2.

astro-ph.GA↗

arXiv2024

Evolution of Chemistry in the envelope of HOt CorinoS (ECHOS) II. The puzzling chemistry of isomers as revealed by the HNCS/HSCN ratio

The observational detection of some metastable isomers in the interstellar medium with abundances comparable to those of the most stable isomer, or even when the stable isomer is not detected, highlights the importance of non-equilibrium chemistry. This challenges our understanding of the interstellar chemistry. We present a chemical study of isomers through the sulphur isomer pair HNCS and HSCN, since HSCN has been observed in regions where its stable isomer has not been detected, and the observed HNCS/HSCN ratio seems to significantly vary from cold to warm regions. We have used the Nautilus chemical code to model the formation and destruction paths of HNCS and HSCN in different astrochemical scenarios, and the time evolution of the HNCS/HSCN ratio. We have also analysed the influence of the environmental conditions on their chemical abundances. We present an observational detection of the metastable isomer HSCN in the Class I object B1-a, but not of the stable isomer HNCS, despite HNCS lying 3200 K lower in energy than HSCN. Our results show an HNCS/HSCN ratio sensitive to the gas temperature and the evolutionary time, with the highest values obtained at early stages (t<10^4 yr) and low (Tg<20 K) temperatures. The results suggest a different efficiency of the isomerisation processes depending on the source temperature. The progressive decrease of HNCS/HSCN with gas temperature at early evolutionary times indicates that this ratio may be used as a tracer of cold young objects. This work also demonstrates the key role of grain surface chemistry in the formation of the isomer pair HNCS and HSCN in cold regions, and the importance of the ions H2NCS+ and HNCSH+ in warm/hot regions. Since most of the interstellar regions where HSCN is detected are cold regions, a larger sample including sources characterised by high temperatures are needed to corroborate the theoretical results.

astro-ph.GA↗

arXiv2024

Gas phase Elemental abundances in Molecular cloudS (GEMS). X. Observational effects of turbulence on the chemistry of molecular clouds

(Abridged) We explore the chemistry of the most abundant C, O, S, and N bearing species in molecular clouds, in the context of the IRAM 30 m Large Programme Gas phase Elemental abundances in Molecular Clouds (GEMS). In this work, we aim to assess the limitations introduced in the observational works when a uniform density is assumed along the line of sight for fitting the observations, developing a very simple numerical model of a turbulent box. We perform a MHD simulation in order to reproduce the turbulent steady-state of a turbulent box with properties typical of a molecular filament before collapse. We post-process the results of the MHD simulation with a chemical code to predict molecular abundances, and then post-process this cube with a radiative transfer code to create synthetic emission maps for a series of rotational transitions observed during the GEMS project. From the chemical point of view, we find that turbulence produces variations on the predicted abundances, but they are more or less critical depending on the chosen transition and the chemical age. When compared to real observations, the results from the turbulent simulation provides a better fit than when assuming a uniform gas distribution along the line of sight. In the view of our results, we conclude that taking into account turbulence when fitting observations might significantly improve the agreement with model predictions. This is especially important for sulfur bearing species that are very sensitive to the variations of density produced by turbulence at early times (0.1 Myr). The abundance of CO is also quite sensitive to turbulence when considering the evolution beyond a few 0.1 Myr.

astro-ph.GA↗

arXiv2023

Evolution of Chemistry in the envelope of Hot Corinos (ECHOS). I. Extremely young sulphur chemistry in the isolated Class 0 object B335

Within the project Evolution of Chemistry in the envelope of HOt corinoS (ECHOS), we present a study of sulphur chemistry in the envelope of the Class 0 source B335 through observations in the spectral range 7, 3, and 2 mm. We have modelled observations assuming LTE and LVG approximation. We have also used the code Nautilus to study the time evolution of sulphur species. We have detected 20 sulphur species with a total gas-phase S abundance similar to that found in the envelopes of other Class 0 objects, but with significant differences in the abundances between sulphur carbon chains and sulphur molecules containing oxygen and nitrogen. Our results highlight the nature of B335 as a source especially rich in sulphur carbon chains unlike other Class 0 sources. The low presence or absence of some molecules, such as SO and SO+, suggests a chemistry not particularly influenced by shocks. We, however, detect a large presence of HCS+ that, together with the low rotational temperatures obtained for all the S species (<15 K), reveals the moderate or low density of the envelope of B335. We also find that observations are better reproduced by models with a sulphur depletion factor of 10 with respect to the sulphur cosmic elemental abundance. The comparison between our model and observational results for B335 reveals an age of 10$^4$$<$t$<$10$^5$ yr, which highlights the particularly early evolutionary stage of this source. B335 presents a different chemistry compared to other young protostars that have formed in dense molecular clouds, which could be the result of accretion of surrounding material from the diffuse cloud onto the protostellar envelope of B335. In addition, the analysis of the SO2/C2S, SO/CS, and HCS+/CS ratios within a sample of prestellar cores and Class 0 objects show that they could be used as good chemical evolutionary indicators of the prestellar to protostellar transition.

astro-ph.GA↗

arXiv2022

Linking the dust and chemical evolution: Taurus and Perseus -- New collisional rates for HCN, HNC, and their C, N, and H isotopologues

HCN, HNC, and their isotopologues are ubiquitous molecules that can serve as chemical thermometers and evolutionary tracers to characterize star-forming regions. Despite their importance in carrying information that is vital to studies of the chemistry and evolution of star-forming regions, the collision rates of some of these molecules have not been available for rigorous studies in the past. We perform an up-to-date gas and dust chemical characterization of two different star-forming regions, TMC 1-C and NGC 1333-C7, using new collisional rates of HCN, HNC, and their isotopologues. We investigated the possible effects of the environment and stellar feedback in their chemistry and their evolution. With millimeter observations, we derived their column densities, the C and N isotopic fractions, the isomeric ratios, and the deuterium fractionation. The continuum data at 3 mm and 850 $\mu$m allowed us to compute the emissivity spectral index and look for grain growth as an evolutionary tracer. The H$^{13}$CN/HN$^{13}$C ratio is anticorrelated with the deuterium fraction of HCN, thus it can readily serve as a proxy for the temperature. The spectral index $(\beta\sim 1.34-2.09)$ shows a tentative anticorrelation with the H$^{13}$CN/HN$^{13}$C ratio, suggesting grain growth in the evolved, hotter, and less deuterated sources. Unlike TMC 1-C, the south-to-north gradient in dust temperature and spectral index observed in NGC 1333-C7 suggests feedback from the main NGC 1333 cloud. With this up-to-date characterization of two star-forming regions, we found that the chemistry and the physical properties are tightly related. The dust temperature, deuterium fraction, and the spectral index are complementary evolutionary tracers. The large-scale environmental factors may dominate the chemistry and evolution in clustered star-forming regions.

astro-ph.GA↗

arXiv2022

Gas phase Elemental abundances in Molecular cloudS (GEMS) VII. Sulfur elemental abundance

Gas phase Elemental abundances in molecular CloudS (GEMS) is an IRAM 30m large program aimed at determining the elemental abundances of carbon (C), oxygen (O), nitrogen (N), and sulfur (S) in a selected set of prototypical star-forming filaments. In particular, the elemental abundance of S remains uncertain by several orders of magnitude and its determination is one of the most challenging goals of this program. We have carried out an extensive chemical modeling of the fractional abundances of CO, HCO$^+$, HCN, HNC, CS, SO, H$_2$S, OCS, and HCS$^+$ to determine the sulfur depletion toward the 244 positions in the GEMS database. These positions sample visual extinctions from A$_V$ $\sim$ 3 mag to $>$50 mag, molecular hydrogen densities ranging from a few 10$^3$~cm$^{-3}$ to 3$\times$10$^6$~cm$^{-3}$, and T$_k$ $\sim$ 10$-$35 K. Most of the positions in Taurus and Perseus are best fitted assuming early-time chemistry, t=0.1 Myr, $\zeta_{H_2}$$\sim$ (0.5$-$1)$\times$10$^{-16}$ s$^{-1}$, and [S/H]$\sim$1.5$\times$10$^{-6}$. On the contrary, most of the positions in Orion are fitted with t=1~Myr and $\zeta_{H_2}$$\sim$ 10$^{-17}$ s$^{-1}$. Moreover, $\sim$40% of the positions in Orion are best fitted assuming the undepleted sulfur abundance, [S/H]$\sim$1.5$\times$10$^{-5}$. Our results suggest that sulfur depletion depends on the environment. While the abundances of sulfur-bearing species are consistent with undepleted sulfur in Orion, a depletion factor of $\sim$20 is required to explain those observed in Taurus and Perseus. We propose that differences in the grain charge distribution in the envelopes of the studied clouds might explain these variations. The shocks associated with past and ongoing star formation could also contribute to enhance [S/H] in Orion.

astro-ph.GA↗

arXiv2022

Gas phase Elemental abundances in Molecular cloudS (GEMS) VI. A sulphur journey across star-forming regions: study of thioformaldehyde emission

In the context of the IRAM 30m Large Program GEMS, we present a study of thioformaldehyde in several starless cores located in star-forming filaments of Taurus, Perseus, and Orion. We investigate the influence of the environmental conditions on the abundances of these molecules in the cores, and the effect of time evolution. We have modelled the observed lines of H2CS, HDCS, and D2CS using the radiative transfer code RADEX. We have also used the chemical code Nautilus to model the evolution of these species depending on the characteristics of the starless cores. We derive column densities and abundances for all the cores. We also derive deuterium fractionation ratios, Dfrac, to determine and compare the evolutionary stage between different parts of each star-forming region. Our results indicate that the north region of the B213 filament in Taurus is more evolved than the south, while the north-eastern part of Perseus presents an earlier evolutionary stage than the south-western zone. Model results also show that Dfrac decreases with the cosmic-ray ionisation rate, while it increases with density and with the degree of sulphur depletion. In particular, we only reproduce the observations when the initial sulphur abundance in the starless cores is at least one order of magnitude lower than the solar elemental sulphur abundance. The progressive increase in HDCS/H2CS and D2CS/H2CS with time makes these ratios powerful tools for deriving the chemical evolutionary stage of starless cores. However, they cannot be used to derive the temperature of these regions, since both ratios present a similar evolution at two different temperature ranges (7-11 K and 15-19 K). Regarding chemistry, (deuterated) thioformaldehyde is mainly formed through gas-phase reactions (double-replacement and neutral-neutral displacement reactions), while surface chemistry plays an important role as a destruction mechanism.

astro-ph.SR↗

arXiv2022

H2CS deuteration maps towards the pre-stellar core L1544

Deuteration is a crucial tool to understand the complexity of interstellar chemical processes, especially when they involve the interplay of gas-phase and grain-surface chemistry. In the case of multiple deuteration, comparing observation with the results of chemical modelling is particularly effective to study how molecules are inherited in the different stages within the process of star and planet formation. We aim to study the the D/ H ratio in H2CS across the prototypical pre-stellar core L1544. This study allows us to test current gas-dust chemical models involving sulfur in dense cores. We present here single-dish observations of H2CS, HDCS and D2CS with the IRAM 30m telescope. We analyse their column densities and distributions, and compare these observations with gas-grain chemical models. The deuteration maps of H2CS in L1544 are compared with the deuteration maps of methanol, H2CO, N2H+ and HCO+ towards the same source. Furthermore, the single and double deuteration of H2CS towards the dust peak of L1544 is compared with H2CO and c-C3H2. The difference between the deuteration of these molecules in L1544 is discussed and compared with the prediction of chemical models. The maximum deuterium fractionation for the first deuteration of H2CS is N(HDCS)/N(H2CS)$\sim$30$\%$ and is located towards the north-east at a distance of about 10000 AU from the dust peak. While for c-C3H2 the first and second deuteration have a similar efficiency, for H2CS and H2CO the second deuteration is more efficient, leading to D2CX/HDCX$\sim$100$\%$ (with X= O or S). Our results imply that the large deuteration of H2CO and H2CS observed in protostellar cores as well as in comets is likely inherited from the pre-stellar phase. However, the comparison with state-of-the-art chemical models suggests that the reaction network for the formation of the doubly deuterated H2CS and H2CO it is not complete yet.

astro-ph.GA↗

arXiv2021

Gas phase Elemental abundances in Molecular cloudS (GEMS). IV. Observational results and statistical trends

Gas phase Elemental abundances in Molecular CloudS (GEMS) is an IRAM 30m Large Program designed to estimate the S, C, N, and O depletions and gas ionization degree, X(e-), in a set of star-forming filaments of Taurus, Perseus and Orion. Our immediate goal is to build up a complete database of molecular abundances that can serve as an observational basis for estimating X(e-) and the C, O, N, and S depletions through chemical modeling. We observed and derived the abundances of 14 species (13CO, C18O, HCO+, H13CO+, HC18O+, HCN, H13CN, HNC, HCS+, CS, SO, 34SO, H2S, and OCS) in 244 positions, covering the AV 3 to 100 mag, n(H2) a few 10$^{3}$ to 10$^6$ cm$^{-3}$, and Tk 10 to 30 K ranges in these clouds, avoiding protostars, HII regions, and outflows. A statistical analysis is carried out to identify general trends between different species and with physical parameters. Relations between molecules reveal strong linear correlations which define three different families: (1) 13CO and C18O; (2) H13CO+, HC18O+, H13CN, and HNC; and (3) the S-bearing molecules. The abundances of the CO isotopologs increase with the gas kinetic temperature until TK 15 K. For higher temperatures, the abundance remains constant with a scatter of a factor of 3. The abundances of H13CO+, HC18O+, H13CN, and HNC are well correlated with each other, and all of them decrease with molecular hydrogen density, following the law n(H2)$^{-0.8\pm0.2}$. The abundances of S-bearing species also decrease with n(H2) at a rate of (S-bearing/H)gas n(H2)$^{-0.6\pm0.1}$. The abundances of molecules belonging to groups 2 and 3 do not present any clear trend with gas temperature. At scales of molecular clouds, the C18O abundance is the quantity that better correlates with the cloud mass. We discuss the utility of the 13CO/C18O, HCO+/H13CO+, and H13CO+/H13CN abundance ratios as chemical diagnostics of star formation in external galaxies.

astro-ph.GA↗

arXiv2020

Gas-phase Elemental abundances in Molecular cloudS (GEMS) III. Unlocking the CS chemistry: the CS+O reaction

CS is among the most abundant gas-phase S-bearing molecules in cold dark molecular clouds. It is easily observable with several transitions in the millimeter wavelength range, and has been widely used as a tracer of the gas density in the interstellar medium in our Galaxy and external galaxies. Chemical models fail to account for the observed CS abundances when assuming the cosmic value for the elemental abundance of sulfur. The CS+O -> CO + S reaction has been proposed as a relevant CS destruction mechanism at low temperatures, and could explain the discrepancy between models and observations. Its reaction rate has been experimentally measured at temperatures of 150-400 K, but the extrapolation to lower temperatures is doubtful. Here we calculate the CS+O reaction rate at temperatures <150 K which are prevailing in the interstellar medium. We performed ab initio calculations to obtain the three lowest PES of the CS+O system. These PESs are used to study the reaction dynamics, using several methods to eventually calculate the CS+O thermal reaction rates. We compare the results of our theoretical calculations for 150-400 K with those obtained in the laboratory. Our detailed theoretical study on the CS+O reaction, which is in agreement with the experimental data obtained at 150-400 K, demonstrates the reliability of our approach. After a careful analysis at lower temperatures, we find that the rate constant at 10 K is negligible, which is consistent with the extrapolation of experimental data using the Arrhenius expression. We use the updated chemical network to model the sulfur chemistry in TMC1 based on molecular abundances determined from GEMS project observations. In our model, we take into account the expected decrease of the cosmic ray ionization rate along the cloud. The abundance of CS is still overestimated when assuming the cosmic value for the sulfur abundance.

astro-ph.GA↗