Characterizing the molecular composition of solar-type protostars is useful for improving our understanding of the physico-chemical conditions under which the Sun and its planets formed. In this work, we analyzed the Atacama Large Millimeter/submillimeter Array (ALMA) data of the Protostellar Interferometric Line Survey (PILS), an unbiased spectral survey of the solar-type protostar IRAS~16293--2422, and we tentatively detected 3-hydroxypropenal (HOCHCHCHO) for the first time in the interstellar medium towards source B. Based on the observed line intensities and assuming local thermodynamic equilibrium, its column density is constrained to be $\sim$10$^{15}$ cm$^{-2}$, corresponding to an abundance of 10$^{-4}$ relative to methanol, CH$_3$OH. Additional spectroscopic studies are needed to constrain the excitation temperature of this molecule. We included HOCHCHCHO and five of its isomers in the chemical network presented in Manigand et al. (2021) and we predicted their chemical evolution with the Nautilus code. The model reproduces the abundance of HOCHCHCHO within the uncertainties. This species is mainly formed through the grain surface reaction CH$_2$CHO + HCO $\rightarrow$ HCOCH$_2$CHO, followed by the tautomerization of HCOCH$_2$CHO into HOCHCHCHO. Two isomers, CH$_3$COCHO and CH$_2$COHCHO, are predicted to be even more abundant than HOCHCHCHO. Spectroscopic studies of these molecules are essential in searching for them in IRAS~16293--2422 and other astrophysical sources.

Context. Di-deuterated molecules are observed in the earliest stages of star formation at abundances of a few percent relative to their nondeuterated isotopologs, which is unexpected considering the scarcity of deuterium in the interstellar medium. With sensitive observations leading to the detection of a steadily increasing number of di-deuterated species, it is becoming possible to explore successive deuteration chains. Aims. The accurate quantification of the column density of di-deuterated methanol is a key piece of the puzzle that is missing in the otherwise thoroughly constrained family of D-bearing methanol in the deeply embedded low-mass protostellar system and astrochemical template source IRAS 16293-2422. A spectroscopic dataset for astrophysical purposes was built for CHD 2 OH and made publicly available to facilitate the accurate characterization of this species in astrochemical surveys. Methods. The newly computed line list and partition function were used to search for CHD 2 OH toward IRAS 16293-2422 A and B in data from the Atacama Large Millimeter/submillimeter Array (ALMA) Protostellar Interferometric Line Survey (PILS). Only nonblended, optically thin lines of CHD 2 OH were used for the synthetic spectral fitting. Results. The constructed spectroscopic database contains line frequencies and strengths for 7417 transitions in the 0–500 GHz frequency range. ALMA-PILS observations in the 329–363 GHz range were used to identify 105 unique, nonblended, optically thin line frequencies of CHD 2 OH for synthetic spectral fitting. The derived excitation temperatures and column densities yield high D/H ratios of CHD 2 OH in IRAS 16293-2422 A and B of 7.5 ± 1.1% and 7.7 ± 1.2%, respectively. Conclusions. Deuteration in IRAS 16293-2422 is not higher than in other low-mass star-forming regions (L483, SVS13-A, NGC 1333-IRAS2A, -IRAS4A, and -IRAS4B). Di-deuterated molecules consistently have higher D/H ratios than their mono-deuterated counterparts in all low-mass protostars, which may be a natural consequence of H–D substitution reactions as seen in laboratory experiments. The Solar System’s natal cloud, as traced by comet 67P/Churyumov–Gerasimenko, may have had a lower initial abundance of D, been warmer than the cloud of IRAS 16293-2422, or been partially reprocessed. In combination with accurate spectroscopy, a careful spectral analysis, and the consideration of the underlying assumptions, successive deuteration is a robust window on the physicochemical provenance of star-forming systems.

Context. Complex organic molecules with three carbon atoms are found in the earliest stages of star formation. In particular, propenal (C 2 H 3 CHO) is a species of interest due to its implication in the formation of more complex species and even biotic molecules. Aims. This study aims to search for the presence of C 2 H 3 CHO and other three-carbon species such as propylene (C 3 H 6 ) in the hot corino region of the low-mass protostellar binary IRAS 16293–2422 to understand their formation pathways. Methods. We use ALMA observations in Band 6 and 7 from various surveys to search for the presence of C 3 H 6 and C 2 H 3 CHO towards the protostar IRAS 16293–2422 B (IRAS 16293B). The identification of the species and the estimates of the column densities and excitation temperatures are carried out by modeling the observed spectrum under the assumption of local thermodynamical equilibrium. Results. We report the detection of both C 3 H 6 and C 2 H 3 CHO towards IRAS 16293B, however, no unblended lines were found towards the other component of the binary system, IRAS 16293A. We derive column density upper limits for C 3 H 8 , HCCCHO, n -C 3 H 7 OH, i -C 3 H 7 OH, C 3 O, and cis-HC(O)CHO towards IRAS 16293B. We then use a three-phase chemical model to simulate the formation of these species in a typical prestellar environment followed by its hydrodynamical collapse until the birth of the central protostar. Different formation paths, such as successive hydrogenation and radical-radical additions on grain surfaces, are tested and compared to the observational results in a number of different simulations, to assess which are the dominant formation mechanisms in the most embedded region of the protostar. Conclusions. The simulations reproduce the abundances within one order of magnitude from those observed towards IRAS 16293B, with the best agreement found for a rate of 10 −12 cm 3 s −1 for the gas-phase reaction C 3 + O → C 2 + CO. Successive hydrogenations of C 3 , HC(O)CHO, and CH 3 OCHO on grain surfaces are a major and crucial formation route of complex organics molecules, whereas both successive hydrogenation pathways and radical-radical addition reactions contribute to the formation of C 2 H 5 CHO.

(Abridged) Complex organic molecules (COMs) are commonly detected in and near star-forming regions. However, the dominant process in the release of these COMs from the icy grains - where they predominately form - to the gas phase is still an open question. We investigate the origin of COM emission in a protostellar source, CygX-N30, through high-angular-resolution interferometric observations over a continuous broad frequency range. We used 32 GHz Submillimeter Array observations with continuous frequency coverage from 329 to 361 GHz at an angular resolution of ~1 to do a line survey and obtain a chemical inventory of the source. The line emission was used to determine column densities and excitation temperatures for the COMs. We mapped out the intensity distribution of the different species and identified approximately 400 lines that can be attributed to 29 different molecular species and their isotopologues. We find that the molecular peak emission is along a linear gradient, coinciding with the axis of red- and blueshifted H2CO and CS emission. Chemical differentiation is detected along this gradient, with the O-bearing molecular species peaking towards one component of the system and the N- and S-bearing species peaking towards the other. The inferred column densities and excitation temperatures are compared to other sources where COMs are abundant. The origin of the observed COM emission is probably a combination of the young stellar sources along with accretion of infalling material onto a disc-like structure surrounding a young protostar. The low D/H ratio observed (<0.1%) likely reflects a pre-stellar phase where COMs formed on the ices at warm temperatures (~ 30 K), with inefficient deuterium fractionation. The observations and results presented here demonstrate the importance of good frequency coverage and high angular resolution when disentangling the origin of COM emission.

We present here a new method to model the shape of the 3-μm absorption band in the reflectance spectra of meteorites and small bodies. The band is decomposed into several OH/H2O components using Exponentially Modified Gaussian (EMG) profiles, as well as possible organic components using Gaussian profiles when present. We compare this model to polynomial and multiple Gaussian profile fits and show that the EMGs model returns the best rendering of the shape of the band, with significantly lower residuals. We also propose as an example an algorithm to estimate the error on the band parameters using a bootstrap method. We then present an application of the model to two spectral analyses of smectites subjected to different H2O vapor pressures, and present the variations of the components with decreasing humidity. This example emphasizes the ability of this model to coherently retrieve weak bands that are hidden within much stronger ones.

Physicochemical models can be powerful tools to trace the chemical evolution of a protostellar system and allow to constrain its physical conditions at formation. The aim of this work is to assess whether source-tailored modelling is needed to explain the observed molecular abundances around young, low-mass protostars or if, and to what extent, generic models can improve our understanding of the chemistry in the earliest stages of star formation. The physical conditions and the abundances of simple, most abundant molecules based on three models are compared. After establishing the discrepancies between the calculated chemical output, the calculations are redone with the same chemical model for all three sets of physical input parameters. With the differences arising from the chemical models eliminated, the output is compared based on the influence of the physical model. Results suggest that the impact of the chemical model is small compared to the influence of the physical conditions, with considered time-scales having the most drastic effect. Source-tailored models may be simpler by design; however, likely do not sufficiently constrain the physical and chemical parameters within the global picture of star-forming regions. Generic models with more comprehensive physics may not provide the optimal match to observations of a particular protostellar system, but allow a source to be studied in perspective of other star-forming regions.

Studies of deuterated isotopologues of complex organic molecules can provide important constraints on their origin in regions of star formation. In particular, the abundances of deuterated species are very sensitive to the physical conditions in the environment where they form. Due to the low temperatures in regions of star formation, these isotopologues are enhanced to significant levels, making detections of multiply-deuterated species possible. However, for complex organic species, only the multiply-deuterated variants of methanol and methyl cyanide have been reported so far. The aim of this paper is to initiate the characterisation of multiply-deuterated variants of complex organic species with the first detection of doubly-deuterated methyl formate, CHD2OCHO. We use ALMA observations from the Protostellar Interferometric Line Survey (PILS) of the protostellar binary IRAS 16293-2422, in the spectral range of 329.1 GHz to 362.9 GHz. We report the first detection of doubly-deuterated methyl formate CHD2OCHO in the ISM. The D/H ratio of CHD2OCHO is found to be 2-3 times higher than the D/H ratio of CH2DOCHO for both sources, similar to the results for formaldehyde from the same dataset. The observations are compared to a gas-grain chemical network coupled to a dynamical physical model, tracing the evolution of a molecular cloud until the end of the Class 0 protostellar stage. The overall D/H ratio enhancements found in the observations are of the same order of magnitude as the predictions from the model for the early stages of Class 0 protostars. However, the higher D/H ratio of CHD2OCHO compared to the D/H ratio of CH2DOCHO is still not predicted by the model. This suggests that a mechanism is enhancing the D/H ratio of singly- and doubly-deuterated methyl formate that is not in the model, e.g. mechanisms for H-D substitutions.

We report new interferometric images of cyclopropenylidene, c-C3H2, toward the young protocluster OMC-2 FIR 4. The observations were performed at 82 and 85 GHz with the NOrthern Extended Millimeter Array (NOEMA) as part of the project Seeds Of Life In Space (SOLIS). In addition, IRAM-30 m data observations were used to investigate the physical structure of OMC-2 FIR 4. We find that the c-C3H2 gas emits from the same region where previous SOLIS observations showed bright HC5N emission. From a non-LTE analysis of the IRAM-30 m data, the c-C3H2 gas has an average temperature of similar to 40 K, a H-2 density of similar to 3 x 10(5) cm(-3), and a c-C3H2 abundance relative to H-2 of (7 +/- 1) x 10(-12). In addition, the NOEMA observations provide no sign of significant c-C3H2 excitation temperature gradients across the region (about 3-4 beams), with T-ex in the range 8 +/- 3 up to 16 +/- 7 K. We thus infer that our observations are inconsistent with a physical interaction of the OMC-2 FIR 4 envelope with the outflow arising from OMC-2 FIR 3, as claimed by previous studies. The comparison of the measured c-C3H2 abundance with the predictions from an astrochemical PDR model indicates that OMC-2 FIR 4 is irradiated by an FUV field similar to 1000 times larger than the interstellar one, and by a flux of ionizing particles similar to 4000 times larger than the canonical value of 1 x 10(-17) s(-1) from the Galaxy cosmic rays, which is consistent with our previous HC5N observations. This provides an important and independent confirmation of other studies that one, or more, source inside the OMC-2 FIR 4 region emits energetic (>= 10 MeV) particles.

The very weak water vapor self-continuum has been investigated by high-sensitivity cavity ring-down spectroscopy in the 1.6 mu m window at five temperatures between 302 K and 340 K. The absorption cross sections, C-s(nu, T), were retrieved for 10 selected wave numbers from a fit of the absorption coefficients measured in real time during pressure ramps, after subtraction of the contributions of the local water monomer lines and of water adsorbed on the cell mirrors. The values measured between 5875 and 6665 cm(-1) range between 1.5 x 10(-25) and 2 x 10(-24) cm(2) mol(-1) atm(-1) with a minimum around 6300 cm(-1). At 302 K, an agreement within 50% is observed over the whole window with the cross sections provided by the MT_CKD V2.5 model. Nevertheless, while our measurements show that the C-s(nu, T) decrease from 302 K to 340 K is no more than 50% for all our selected wave numbers, the MT_CKD V2.5 model predicts a much more pronounced temperature dependence in the center of the window, the agreement being better on the edges of the window. The obtained results are discussed in relation with theoretical modeling of the water vapor self-continuum as far wings of monomer lines or water dimer absorption. For potential atmospheric applications, cross sections are provided at each temperature with a sampling step of 10 cm(-1) for the entire 5850-6700 cm(-1) range.