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Context. The G31.41+0.31 Unbiased ALMA sPectral Observational Survey (GUAPOS) project targets the hot molecular core (HMC) G31.41+0.31 (G31) to reveal the complex chemistry of one of the most chemically rich high-mass star-forming regions outside the Galactic center (GC). Aims. In the third paper of the project we present a study of nine O-bearing (CH3OH, 13CH3OH, CH318OH , CH3CHO, CH3OCH3, CH3COCH3, C2H5OH, aGg′-(CH2OH)2, and gGg′-(CH2OH)2) and six N-bearing (CH3CN,13CH3CN, CH313CN, C2H3CN, C2H5CN, and C2H513CN) complex organic molecules toward G31. The aim of this work is to characterize the abundances in G31 and to compare them with the values estimated in other sources. Moreover, we searched for a possible chemical segregation between O-bearing and N-bearing species in G31, which hosts four compact sources as seen with higher angular resolution data. In the discussion we also include the three isomers of C2H4O2 and the O- and N-bearing molecular species NH2CHO, CH3NCO, CH3C(O)CH2, and CH3NHCHO, which were analyzed in previous GUAPOS papers. Methods. Observations were carried out with the interferometer ALMA and cover the entire Band 3 from 84 to 116 GHz (~32 GHz bandwidth) with an angular resolution of 1.2″ × 1.2″ (~4400 au × 4400 au) and a spectral resolution of ~0.488 MHz (~1.3–1.7 km s−1). The transitions of the 14 molecular species were analyzed with the tool SLIM of MADCUBA to determine the physical parameters of the emitting gas. Moreover, we analyzed the morphology of the emission of the molecular species. Results. The values of abundances with respect to H2 in G31 range from 10−6 to 10−10 for the different species. We compared the abundances with respect to methanol of O-bearing, N-bearing, and O- and N-bearing COMs in G31 with 27 other sources, including other hot molecular cores inside and outside the GC, hot corinos, shocked regions, envelopes around young stellar objects, and quiescent molecular clouds, and with chemical models. Conclusions. From the comparison with other sources there is not a unique template for the abundances in hot molecular cores, pointing toward the importance of the thermal history for the chemistry of the various sources. The abundances derived from the chemical models are in good agreement, within a factor of 10, with those of G31. From the analysis of the maps we derived the peak positions of all the molecular species toward G31. Different species peak at slightly different positions, and this, together with the different central velocities of the lines obtained from the spectral fitting, point to chemical differentiation of selected O-bearing species. [ABSTRACT FROM AUTHOR]

We report the discovery of a velocity coherent, funnel-shaped 13CO emission feature in the Galactic centre (GC) using data from the SEDIGISM survey. The molecular cloud appears as a low-velocity structure (VLSR = [ − 3.5,   + 3.5] km s−1) with an angular extent of 0.95° ×1°, extending towards positive Galactic latitudes. The structure is offset from Sgr A* towards negative Galactic longitudes; it spatially and morphologically correlates well with the northern lobe of the 430 pc radio bubble, believed to be the radio counterpart of the multiwavelength GC chimney. Spectral line observations in the frequency range of 85–116 GHz have been carried out using the IRAM 30-m telescope towards 12 positions along the funnel-shaped emission. We examine the 12C/13C isotopic ratios using various molecules and their isotopologues. The mean 12C/13C isotope ratio (30.6 ± 2.9) is consistent with the structure located within inner 3 kpc of the Galaxy and possibly in the GC. The velocity of the molecular funnel is consistent with previous radio recombination line measurements of the northern lobe of radio bubble. Our multiwavelength analysis suggests that the funnel-shaped structure extending over 100 pc above the Galactic plane is the molecular counterpart of the northern GC chimney. [ABSTRACT FROM AUTHOR]

Aims. We aim to investigate the chemistry of internal photon-dominated regions (PDRs) surrounding deeply embedded hypercompact (HC) and ultracompact (UC) HII regions. We search for specific tracers of this evolutionary stage of massive star formation that can be detected with current astronomical facilities. Methods. We modeled hot cores with embedded HC/UCHII regions (called HII region models in the article despite the fact that we do not model the HII region itself), by coupling the astrochemical code Saptarsy to a radiative transfer framework obtaining the spatio-temporal evolution of abundances as well as time-dependent synthetic spectra. In these models where we focused on the internal PDR surrounding the HII region, the gas temperature is set to the dust temperature and we do not include dynamics thus the density structure is fixed. We compared this to hot molecular core (HMC) models and studied the effect on the chemistry of the radiation field which is included in the HII region models only during the computation of abundances. In addition, we investigated the chemical evolution of the gas surrounding HII regions with models of different densities at the ionization front, different sizes of the ionized cavity and different initial abundances. Results. We obtain the time evolution of synthetic spectra for a dozen of selected species as well as ratios of their integrated intensities. We find that some molecules such as C, N2H+, CN, and HCO do not trace the inner core and so are not good tracers to distinguish the HII/PDR regions to the HMCs phase. On the contrary, C+ and O trace the internal PDRs, in the two models starting with different initial abundances, but are unfortunately currently unobservable with the current achievable spatial resolution because of the very thin internal PDR (Δ rPDR < 100 AU). The emission of these two tracers is very dependent on the size of the HII region and on the density in the PDR. In addition, we find that the abundance profiles are highly affected by the choice of the initial abundances, hence the importance to properly define them. [ABSTRACT FROM AUTHOR]

We have observed five sulphur-bearing molecules in foreground diffuse molecular clouds lying along the sight-lines to five bright continuum sources. We have used the GREAT instrument on SOFIA to observe the SH 1383 GHz 2Π3/2 ← = 5/2 = 3/2 lambda doublet toward the star-forming regions W31C, G29.96-0.02, G34.3+0.1, W49N and W51, detecting foreground absorption towards all five sources; and the EMIR receivers on the IRAM 30 m telescope at Pico Veleta to detect the H2S 110-101 (169 GHz), CS J = 2-1 (98 GHz) and SO 32-21 (99 GHz) transitions. Upper limits on the H3S+ 10-00 (293 GHz) transition were also obtained at the IRAM 30 m. In nine foreground absorption components detected towards these sources, the inferred column densities of the four detected molecules showed relatively constant ratios, with N(SH)/N(H2S) in the range 1.1-3.0, N(CS)/N(H2S) in the range 0.32-0.61, and N(SO)/N(H2S) in the range 0.08-0.30. The column densities of the sulphur-bearing molecules are very well correlated amongst themselves, moderately well correlated with CH (a surrogate tracer for H2), and poorly correlated with atomic hydrogen. The observed SH/H2 ratios - in the range 5 to 26 × 10-9 - indicate that SH (and other sulphur-bearing molecules) account for «1% of the gas-phase sulphur nuclei. The observed abundances of sulphur-bearing molecules, however, greatly exceed those predicted by standard models of cold diffuse molecular clouds, providing further evidence for the enhancement of endothermic reaction rates by elevated temperatures or ion-neutral drift. We have considered the observed abundance ratios in the context of shock and turbulent dissipation region (TDR) models. Using the TDR model, we find that the turbulent energy available at large scale in the diffuse ISM is sufficient to explain the observed column densities of SH and CS. Standard shock and TDR models, however, fail to reproduce the column densities of H2S and SO by a factor of about 10; more elaborate shock models - in which account is taken of the velocity drift, relative to H2, of SH molecules produced by the dissociative recombination of H3S+ - reduce this discrepancy to a factor ~3. [ABSTRACT FROM AUTHOR]

Context. Hot molecular cores (HMCs) are intermediate stages of high-mass star formation and are also known for their rich chemical reservoirs and emission line spectra at (sub-)mm wavebands. Complex organic molecules (COMs) such as methanol (CH3OH), ethanol (C2H5OH), dimethyl ether (CH3OCH3), and methyl formate (HCOOCH3) produce most of these observed lines. The observed spectral feature of HMCs such as total number of emission lines and associated line intensities are also found to vary with evolutionary stages. Aims. We aim to investigate the spectral evolution of these COMs to explore the initial evolutionary stages of high-mass star formation including HMCs. Methods. We developed various 3D models for HMCs guided by the evolutionary scenarios proposed by recent empirical and modeling studies. We then investigated the spatio-temporal variation of temperature and molecular abundances in HMCs by consistently coupling gas-grain chemical evolution with radiative transfer calculations. We explored the effects of varying physical conditions on molecular abundances including density distribution and luminosity evolution of the central protostar(s) among other parameters. Finally, we simulated the synthetic spectra for these models at different evolutionary timescales to compare with observations. Results. Temperature has a profound effect on the formation of COMs through the depletion and diffusion on grain surface to desorption and further gas-phase processing. The time-dependent temperature structure of the hot core models provides a realistic framework for investigating the spatial variation of ice mantle evaporation as a function of evolutionary timescales. We find that a slightly higher value (15 K) than the canonical dark cloud temperature (10 K) provides a more productive environment for COM formation on grain surface. With increasing protostellar luminosity, the water ice evaporation font (~100 K) expands and the spatial distribution of gas phase abundances of these COMs also spreads out. We calculated the temporal variation of the radial profiles of these COMs for different hot core models. These profiles resemble the so-called jump profiles with relative abundances higher than 10-9 within the evaporation font will furthermore be useful to model the observed spectra of hot cores. We present the simulated spectra of these COMs for different hot core models at various evolutionary timescales. A qualitative comparison of the simulated and observed spectra suggests that these self-consistent hot core models can reproduce the notable trends in hot core spectral variation within the typical hot core timescales of 105 year. These models predict that the spatial distribution of various emission line maps will also expand with evolutionary time; this feature can be used to constrain the relative desorption energies of the molecules that mainly form on the grain surface and return to the gas phase via thermal desorption. The detailed modeling of the thermal structure of hot cores with similar masses along with the characterization of the desorption energies of different molecules can be used to constrain the luminosity evolution of the central protostars. The model predictions can be compared with high resolution observation that can probe scales of a few thousand AU in high-mass star forming regions such as from Atacama Large Millimeter/submillimeter Array (ALMA). We used a spectral fitting method to analyze the simulated spectra and find that it significantly underestimates some of the physical parameters such as temperature. The coupling of chemical evolution with radiative transfer models will be particularly useful to decipher the physical structure of hot cores and also to constrain the initial evolutionary stages of high-mass star formation. [ABSTRACT FROM AUTHOR]

Aims. We describe the assignment of a previously unidentified interstellar absorption line to ArH+ and discuss its relevance in the context of hydride absorption in diffuse gas with a low H2 fraction. The confidence of the assignment to ArH+ is discussed, and the column densities are determined toward several lines of sight. The results are then discussed in the framework of chemical models, with the aim of explaining the observed column densities. Methods. We fitted the spectral lines with multiple velocity components, and determined column densities from the line-to-continuum ratio. The column densities of ArH+ were compared to those of other species, tracing interstellar medium (ISM) components with different H2 abundances. We constructed chemical models that take UV radiation and cosmic ray ionization into account. Results. Thanks to the detection of two isotopologues, 36ArH+ and 38ArH+, we are confident about the carrier assignment to ArH+. NeH+ is not detected with a limit of [NeH+]/[ArH+] = 0.1. The derived column densities agree well with the predictions of chemical models. ArH+ is a unique tracer of gas with a fractional H2 abundance of 10-4 - 10-3 and shows little correlation to H2O+, which traces gas with a fractional H2 abundance of ˜0.1. Conclusions. A careful analysis of variations in the ArH+, OH+, H2O+, and HF column densities promises to be a faithful tracer of the distribution of the H2 fractional abundance by providing unique information on a poorly known phase in the cycle of interstellar matter and on its transition from atomic diffuse gas to dense molecular gas traced by CO emission. Abundances of these species put strong observational constraints upon magnetohydrodynamical (MHD)simulations of the interstellar medium, and potentially could evolve into a tool characterizing the ISM. Paradoxically, the ArH+ molecule is a better tracer of almost purely atomic hydrogen gas than Hi itself, since Hi can also be present in gas with a significant molecular content, but ArH+singles out gas that is >99.9% atomic. [ABSTRACT FROM AUTHOR]

We aim to fully describe the distribution and location of dense molecular clouds in the giant molecular cloud complex W43. It was previously identified as one of the most massive star-forming regions in our Galaxy. To trace the moderately dense molecular clouds in the W43 region, we initiated W43-HERO, a large program using the IRAM 30 m telescope, which covers a wide dynamic range of scales from 0.3 to 140 pc.We obtained on-the-fly-maps in 13CO (2-1) and C18O (2-1) with a high spectral resolution of 0.1 km s-1 and a spatial resolution of 12" . These maps cover an area of ~1.5 square degrees and include the two main clouds of W43 and the lower density gas surrounding them. A comparison to Galactic models and previous distance calculations confirms the location ofW43 near the tangential point of the Scutum arm at approximately 6 kpc from the Sun. The resulting intensity cubes of the observed region are separated into subcubes, which are centered on single clouds and then analyzed in detail. The optical depth, excitation temperature, and H2 column density maps are derived out of the 13CO and C18O data. These results are then compared to those derived from Herschel dust maps. The mass of a typical cloud is several 104 M☉ while the total mass in the dense molecular gas (>102 cm13) in W43 is found to be ~1.9×106 M☉. Probability distribution functions obtained from column density maps derived from molecular line data and Herschel imaging show a log-normal distribution for low column densities and a power-law tail for high densities. A flatter slope for the molecular line data probability distribution function may imply that those selectively show the gravitationally collapsing gas. [ABSTRACT FROM AUTHOR]

Context. The discovery of amino acids in meteorites fallen to Earth and the detection of glycine, the simplest of them, in samples returned from a comet to Earth strongly suggest that the chemistry of the interstellar medium is capable of producing such complex organic molecules and that they may be widespread in our Galaxy. Aims. Our goal is to investigate the degree of chemical complexity that can be reached in the interstellar medium, in particular in dense star-forming regions. Methods. We performed an unbiased, spectral line survey toward Sgr B2(N) and (M), two regions where high-mass stars are formed, with the IRAM 30 m telescope in the 3 mm atmospheric transmission window. Partial surveys at 2 and 1.3 mm were performed in parallel. The spectra were analyzed with a simple radiative transfer model that assumes local thermodynamic equilibrium but takes optical depth effects into account. Results. About 3675 and 945 spectral lines with a peak signal-to-noise ratio higher than 4 are detected at 3 mm toward Sgr B2(N) and (M), i.e. about 102 and 26 lines per GHz, respectively. This represents an increase by about a factor of two over previous surveys of Sgr B2. About 70% and 47% of the lines detected toward Sgr B2(N) and (M) are identified and assigned to 56 and 46 distinct molecules as well as to 66 and 54 less abundant isotopologues of these molecules, respectively. In addition, we report the detection of transitions from 59 and 24 catalog entries corresponding to vibrationally or torsionally excited states of some of these molecules, respectively, up to a vibration energy of 1400 cm-1 (2000 K). Excitation temperatures and column densities were derived for each species but should be used with caution. The rotation temperatures of the detected complex molecules typically range from ~50 to 200 K. Among the detected molecules, aminoacetonitrile, n-propyl cyanide, and ethyl formate were reported for the first time in space based on this survey, as were five rare isotopologues of vinyl cyanide, cyanoacetylene, and hydrogen cyanide. We also report the detection of transitions from within twelve new vibrationally or torsionally excited states of known molecules. Absorption features produced by diffuse clouds along the line of sight are detected in transitions with low rotation quantum numbers of many simple molecules and are modeled with ~30-40 velocity components with typical linewidths of ~3-5 km s-1. Conclusions. Although the large number of unidentified lines may still allow future identification of new molecules, we expect most of these lines to belong to vibrationally or torsionally excited states or to rare isotopologues of known molecules for which spectroscopic predictions are currently missing. Significant progress in extending the inventory of complex organic molecules in Sgr B2(N) and deriving tighter constraints on their location, origin, and abundance is expected in the near future thanks to an ongoing spectral line survey at 3 mm with ALMA in its cycles 0 and 1. The present single-dish survey will serve as a solid basis for the line identification and analysis of such an interferometric survey. [ABSTRACT FROM AUTHOR]

Context. One of the big questions in astrochemistry is whether complex organic molecules are formed in the gas phase after evaporation of the icy mantles of interstellar dust grains or at intermediate temperatures within these icy mantles. Dimethyl ether (CH3OCH3) is one of these species that may form through either of these mechanisms, but it is yet unclear which is dominant. Aims. The goal of this paper is to determine the respective importance of solid state vs. gas phase reactions for the formation of dimethyl ether. This is done by a detailed analysis of the excitation properties of the ground state and the torsionally excited states, v11 = 1 and v15 = 1, toward the high-mass star-forming region G327.3-0.6. Methods. With the Atacama Pathfinder EXperiment 12 m submillimeter telescope, we performed a spectral line survey toward G327.3-0.6 around 1.3, 1.0, and 0.9 mm as well as at 0.43 and 0.37 mm. The observed CH3OCH3 spectrum is modeled assuming local thermal equilibrium. Results. CH3OCH3 has been detected in the ground state, v= 0, and in the torsionally excited states v11 = 1 and v15 = 1, for which lines have been detected here for the first time. The emission is modeled with an isothermal source structure as well as with a non-uniform spherical structure. In the isothermal case two components at 80 and 100 K are needed to reproduce the dimethyl ether emission, whereas an abundance jump at 85 K or a model with two abundance jumps at 70 and 100 K fit the emission equally well for the non-uniform source model. The emission from the torsionally excited states, v11 = 1 and v15 = 1, is very well fit by the same model as the ground state. Conclusions. For non-uniform source models one abundance jump for dimethyl ether is sufficient to fit the emission, but two components are needed for the isothermal models. This suggests that dimethyl ether is present in an extended region of the envelope and traces a non-uniform density and temperature structure. Both types of models furthermore suggest that most dimethyl ether is present in gas that is warmer than 100 K, but a smaller fraction of 5%-28% is present at temperatures between 70 and 100 K. The dimethyl ether present in this cooler gas is likely formed in the solid state, while gas phase formation probably is dominant above 100 K. Finally, the v11 = 1 and v15 = 1 torsionally excited states are easily excited under the density and temperature conditions in G327.3-0.6 and will thus very likely be detectable in other hot cores as well. [ABSTRACT FROM AUTHOR]

The large number of high-J lines of C18O available via the Herschel Space Observatory provide an unprecedented ability to model the total CO column density in hot cores. Using the emission from all the observed lines (up to J = 15-14), we sum the column densities in each individual level to obtain the total column alter correcting for the population in the unobserved states. With additional knowledge of source size, VLSR, and line width, and both local thermodynamic equilibrium (LTE) and non-LTE modeling, we have determined the total C18O column densities in the Extended Ridge, Outflow/Plateau, Compact Ridge, and Hot Core components of Orion KL to be 1.4 x 1016 cm-2, 3.5 x 1016 cm-2 2.2 x 1016 cm-2, and 6.2 x 1016, respectively. We also find that the C18O/C17O abundance ratio varies from 1.7 in the Outflow/Plateau, 2.3 in the Extended Ridge, 3.0 in the Hot Core, and to 4.1 in the Compact Ridge. This is in agreement with models in which regions with higher ultraviolet radiation fields selectively dissociate C17O, although care must be taken when interpreting these numbers due to the size of the uncertainties in the C18O/C17O abundance ratio. [ABSTRACT FROM AUTHOR]

Using the Mopra telescope, we have undertaken a 3-mm spectral-line imaging survey of a 5 × 5 arcmin2 area around Sgr B2. We covered almost the complete spectral range from 81.7 to 113.5 GHz, with 2.2 MHz wide spectral channels or and have observed 24 lines, with 0.033 MHz wide, or channels. We discuss the distribution of around 50 lines, and present velocity-integrated emission images for 38 of the lines. In addition, we have detected around 120 more lines, mostly concentrated at the particularly spectral-line-rich Sgr B2(N) source. There are significant differences in molecular emission, pointing to both abundance and excitation differences throughout the region. Seven distinct spatial locations are identified for the emitting species, including peaks near the prominent star-forming cores of Sgr B2(N), (M) and (S) that are seen in infrared (IR)-to-radio continuum images. The other features are a ‘north ridge’ and a ‘north cloud’ to the north of the Sgr B2 N-M-S cores, a ‘south-east peak’ and a ‘west ridge’. The column density, as evident through C18O, peaks at the Sgr B2(N) and (M) cores, where strong absorption is also evident in otherwise generally bright lines such as HCO+, HCN and HNC. Most molecules trace a ridge line to the west of the Sgr B2 N-M-S cores, wrapping around the cores and extending north-east to the north cloud. This is most clearly evident in the species HC3N, CH3CN, CH3OH and OCS. They are found to be closer in distribution to the cooler dust traced by the submillimetre continuum than either the warmer dust seen in the mid-IR or to the radio continuum. The molecule CN, in contrast, is reasonably uniform over the entire region mapped, aside from strong absorption at the positions of the Sgr B2(N) and (M) cores. [ABSTRACT FROM AUTHOR]

The W43 region is one of the most massive star forming regions in our Galaxy. It is subject to a large IRAM 30m project that observes high spectral resolution maps of the complete complex in the 13CO (2–1) and C18O (2–1) lines. We find a variety of different sources of which we calculate excitation temperature, H2 column density and mass. We find the total mass of dense clouds in the complex to be 1.2×106 M⊙. [ABSTRACT FROM PUBLISHER]