arXiv subjects

Miguel Sanz-Novo

Publications and source records attributed to Miguel Sanz-Novo.

At least 19 recordsLinked to original sources

arXiv2026

From local chemistry to galactic evolution: unlocking the power of interstellar isotopes with ALMA2040

Molecular isotopic ratios provide a unique window into the chemical evolution of the interstellar medium, linking stellar nucleosynthesis and Galactic chemical evolution to the physical and chemical processes shaping molecular clouds, star-forming regions, and planetary systems. However, molecular isotopic ratios do not necessarily trace the underlying elemental composition, as chemical isotopic fractionation, isotope-selective photodissociation, grain chemistry, and radiative-transfer effects can significantly alter the observed values. Disentangling these effects requires simultaneous observations of multiple transitions, isotope systems and molecular families, including rare, doubly, and multiply substituted isotopologues involving D, $^{13}$C, $^{15}$N, $^{17,18}$O, $^{29,30}$Si, and $^{33,34,36}$S (e.g., $^{13}$C$^{15}$N, $^{13}$C$^{34}$S, and $^{13}$C$^{18}$O). ALMA2040, with an order-of-magnitude improvement in sensitivity and at least 512 GHz of instantaneous bandwidth, will make these species accessible across statistically significant samples of Galactic and nearby extragalactic sources. By enabling systematic isotopic inventories from molecular clouds and prestellar cores to protoplanetary systems, across the Milky Way and in external galaxies, ALMA2040 will establish molecular isotopes as quantitative probes of chemical inheritance, stellar nucleosynthesis, and galaxy evolution, disentangling local chemical processing from the large-scale evolution of matter from stars to new planetary systems.

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arXiv2026

Frontiers of chemical complexity in the interstellar medium: unveiling the cosmic origins of life

The interstellar medium (ISM) contains a rich molecular inventory that provides a unique window into the chemistry operating during star and planet formation and its connection to prebiotic chemistry. More than 350 interstellar molecules are currently known, including increasingly complex organic molecules and species containing elements beyond the second row of the periodic table. Yet the limits that interstellar chemical complexity can reach, its evolution from molecular clouds to planetary systems, and its contribution to the molecular feedstock of life remain poorly constrained. Addressing these questions requires sensitive, broadband observations capable of detecting multiple weak rotational transitions of molecular species, such as amino acids, nucleobases, sugars and lipids, towards star- and planet-forming environments. Current facilities, including ALMA, are limited by instantaneous spectral coverage, sensitivity (especially on extended spatial scales), and the trade-off between total bandwidth and integration time. The proposed ALMA2040 facility would overcome these limitations through at least a tenfold improvement in spectral-line sensitivity, high-fidelity imaging from sub-arcsecond to tens-of-arcsecond scales, and ultra-broad instantaneous frequency coverage from 35 to 950 GHz at high spectral resolution. These capabilities would allow systematic detections of species with molecular abundances with respect to H$_2$ below 10$^{-11}$, facilitating the identification of new complex and heavy-element-bearing species through multiple transitions, and providing complete molecular inventories across evolutionary stages. ALMA2040 would thus make it possible to comprehensively investigate the emergence and evolution of chemical complexity, and to determine whether molecular precursors of prebiotic chemistry are widespread throughout the Galaxy.

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arXiv2026

Chemical Demographics of Star-forming Regions

Our understanding of complex organic chemistry during the formation of stars and planets is shaped by a handful of cherry-picked sources with bright molecular emission lines. This observational bias impedes our assessment of how universal chemical complexity is during star formation. The lack of systematic wideband spectral surveys for statistically significant samples of protostars and cores is a major roadblock to properly probing how COM inventories and abundances depend on the vast range of physical conditions, local cloud and global galactic environments, and evolutionary timescales of low- and high-mass star formation. In turn, this limits our ability to constrain and test physicochemical models, which depend critically on these parameters. The next-generation ALMA2040, with a 10x improvement in line sensitivity, is required to observe COMs, that we perceive as common today, in a fraction of the observing time that is needed today with ALMA. Such capabilities will propel us into the era of chemical demographics, whereby wideband (>100 GHz) spectral surveys at high sensitivity (routinely probing COM abundances down to 0.01% relative to CH3OH) will be executed towards >1000-10000 prestellar and protostellar sources. With robust chemical inventories towards large source sample sizes, we will be able to probe for dependencies of chemical complexity on mass regime, feedback processes in a cluster, Galactic position, metallicity, and time-variable accretion. Only with statistically significant samples at high sensitivity will we be able to assess the ubiquity and homogeneity of COM chemistry across the protostellar mass spectrum and natal cores. Constraining the diversity and availability of such species is critical for our understanding of the chemical reservoir available for planet formation, which eventually shapes (exo)planetary atmosphere compositions.

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arXiv2026

Thioacetaldehyde (CH3CHS) on interstellar ices: a key molecule to unravel two chemical dichotomies in the ISM

Thioacetaldehyde (CH3CHS), recently detected in TMC-1, has an abundance approximately 36 times lower than its oxygen analog, acetaldehyde (CH3CHO). This makes the CH3CHS/CH3CHO pair the one with the largest column density difference among the detected oxygen/sulfur analogue pairs in this cloud. We investigate the hydrogenation pathways of CH3CHS to address two chemical dichotomies in the ISM: (i) the differenciation between CH3CHS and CH3CHO, and (ii) the apparent absence of both CH3CHS in the G+0.693-0.027 molecular cloud and ethyl mercaptan (CH3CH2SH), in TMC-1. Our results reveal a complex scheme that involves multiple competing reactions, highlighting an efficient sequence of consecutive hydrogenations that can lead to CH3CH2SH. This finding suggests that the high S/O ratio observed for thioacetaldehyde in TMC-1 (~36), and even more pronounced in G+0.693-0.027 ($\geq$112), may result from its conversion via hydrogenation on the ice surface, contrary to the case of CH3CHO, which is more resistant to that chemical process. The straightforward hydrogenation of CH3CHS on ices, which can also take place even in the gas-phase at 150 K, provides a reliable explanation for its non-detection in G+0.693-0.027, where grain-surface chemistry is expected to play an important role, favoring the conversion of CH3CHS into CH3CH2SH, which is indeed detected in G+0.693-0.027. In contrast, TMC-1 represents a more pristine gas-phase environment, where grain-surface chemistry has a lower impact. Under these conditions, CH3CHS can persist, while CH3CH2SH remains undetected. Overall, our results show the entirely different reactivity that contributes to the chemical complexity of two of the largest interstellar sulfur factories.

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arXiv2026

Rotational spectroscopy and astronomical search of propane-1-thiol (CH3CH2CH2SH) and propane-2-thiol ((CH3)2CHSH)

This study focuses on propanethiol (or propyl mercaptan, C3H7SH), a sulfur analogue of propanol and a key target for investigating interstellar sulfur chemistry. We report the laboratory rotational spectroscopic characterization of its two structural isomers, propane-1-thiol (1PT) and propane-2-thiol (2PT). For 1PT, experimental analysis led to the observation of three almost isoenergetic conformers, Aa,Ag and Gg, marking the first-time report of the latter. For 2PT, both the anti and gauche conformers were identified. We also assigned, for the first time, several monosubstituted isotopologues in natural abundance: the 34S, 13C1, and 13C2 species for the anti-2PT conformer, as well as the 34S species for the gauche-2PT conformer.Resolvable tunneling splitting, caused by the large-amplitude motion of the sulfhydryl (SH) group, was observed for both the Ag-1PT and gauche-2PT conformers. Global fittings, integrating previous measurements, allowed for the accurate determination of rotational constants, quartic centrifugal distortion constants, and vibrational coupling parameters. The newly derived spectroscopic parameters were utilized to conduct an astronomical search toward the chemically rich Galactic Center molecular cloud G+0.693-0.027. While no evidence for propanethiol was found, we established rigorous upper limits for their column densities. These results indicate that 1PT and 2PT are approximately 13 and 5 times less abundant than ethanethiol in this source, respectively. Furthermore, the derived lower limit for the O/S ratio (29) for the 1-propanol/1-propanethiol pair is consistent with the solar value (37), proviiding a valuable benchmark for understanding the depletion of sulfur in the ISM.

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arXiv2026

Detection of a four-carbon sugar in interstellar space

Sugars are essential biomolecules, serving as metabolic fuels, nucleic acid backbone components, and structural or energy-storage polymers. A central question in origin-of-life research is how monosaccharides formed on the primitive Earth, as laboratory experiments under prebiotic conditions yield insufficient concentrations. The detection of ribose, glucose and other monosaccharides in asteroids and meteorites suggests an exogenous origin, possibly in the interstellar medium (ISM) prior to meteoritic parent-body formation. However, no sugar has been observed in the ISM so far. We report the discovery of erythrulose, a chiral four-carbon ketose, in the ISM. The detection has been achieved thanks to ultrasensitive, broadband spectral surveys toward the Galactic Center molecular cloud G+0.693-0.027 obtained using the Yebes 40m and IRAM 30m telescopes. Erythrulose appears to be at least eight times more abundant than analogous three-carbon sugars, which remain undetected in our ultrasensitive observations. Quantum chemical and astrochemical models indicate that erythrulose forms efficiently on interstellar dust grains from simpler two-carbon aldehydes and alcohols. As ketoses readily isomerize into aldoses in aqueous conditions, interstellar erythrulose could have contributed to the sugar inventory available for early metabolic and replication processes.

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arXiv2026

Interstellar stereoisomerism

The increasing detection of new molecules in the interstellar medium (ISM) shows that stereoisomerism is a fundamental contributor to interstellar molecular complexity. This work presents the first comprehensive overview of interstellar stereoisomerism. A total of 16 stereoisomeric pairs have been identified (13 conformational and 3 geometric), spanning molecules with 5-12 atoms and energy separations from 10 K to 2667 K. They were observed across diverse astrophysical environments with kinetic temperatures ranging from low to high values (7.5-300 K). The observed stereoisomeric ratios (OSR) - defined as the column density ratio of the higher-energy isomer divided by that of the lower-energy isomer - vary widely (0.009-4). While systems with small energy differences (1.2 kcal/mol) in hot environments (> 100 K) generally follow thermodynamic expectations (often assisted by tunneling-driven interconversion), many stereoisomers - particularly those in cold clouds or with larger energy separations - exhibit abundances far exceeding equilibrium values. This demonstrates that thermodynamics alone cannot explain interstellar stereoisomerism. Instead, stereoselective formation/destruction pathways (in the gas phase and/or in the surface of dust grains), photoisomerization, and chemical rearrangement during desorption must play a dominant role. Stereoisomeric ratios thus provide powerful constraints on interstellar chemical pathways, and about the physico/chemical conditions of the ISM. This review highlights the need for stereochemistry-sensitive astrochemical models. Progress in this field requires expanded laboratory spectroscopy of higher-energy stereoisomers, dedicated quantum chemical studies of isomerization processes, and the explicit inclusion of stereoselective chemistry in chemical networks.

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arXiv2026

Atom Addition Formation of Thionylimide (HNSO) on Interstellar Dust Grains: Chemical routes requiring oxygen and nitrogen atom surface diffusion

We investigate the formation of the recently detected HNSO molecule using quantum chemical calculations on ices and astrochemical models in tandem. Our results indicate that HNSO is efficiently produced on grain surfaces through reactions involving atomic oxygen and nitrogen atoms with the radicals NS and SO, forming NSO as a key intermediate. Subsequent hydrogenation of NSO leads to HNSO, with a clear preference for the lowest energy cis conformer, while the trans form is metastable and may be short-lived under typical interstellar conditions. The models predict that solid HNSO can reach abundances comparable to icy OCS, placing it among the major sulfur-bearing species in interstellar ices. Gas-phase abundances, in contrast, remain lower than those of OCS. The implementation of a multibinding scheme in our models clarifies the role of diffusive chemistry in the production of HNSO at early times, improving agreement with observations. These findings suggest that reactions involving diffusing O and N atoms on icy grains contribute significantly to sulfur chemistry and beyond in dense clouds and motivate further searches for molecules containing simultaneously H, N, O and S in other astronomical environments.

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arXiv2026

A detection of sulfur-bearing cyclic hydrocarbons in space

Molecules harbouring sulfur are thought to have played a key role in the biological processes of life on Earth, and thus, they are of much interest when found in space. Here we report on the astronomical detection of a six-membered sulfur-bearing cyclic hydrocarbon in the interstellar medium. Observations of the Galactic Centre molecular cloud G+0.693-0.027 reveal the presence of 2,5-cyclohexadien-1-thione, which is a structural isomer of thiophenol ($c$-C$_6$H$_6$S). For the astronomical identification, we first performed precise laboratory measurements of the thiophenol discharge products system. These measurements, conducted in the radio band using a chirped-pulse Fourier transform microwave spectrometer, enabled us to characterize this highly polar molecular species and provided unambiguous fingerprints needed to identify this organosulfur compound in space, which now ranks as the largest interstellar sulfur-bearing molecule. These results herald the discovery of a family of prebiotically relevant sulfur-bearing species, which potentially act as a bridge between the chemical inventory of the interstellar medium and the composition of the minor bodies of the Solar System.

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arXiv2025

The role of supernova remnants for the emergence of pre-biotic chemistry in molecular clouds

There is growing evidence that the Sun might have formed within a nebula impacted by at least one SNR. In this scenario, ejecta and shocks from SNRs may have provided the elements on which life as we know it is based. Investigating the chemical complexity of molecular clouds impacted by SNRs is therefore essential to unveil the star formation process and how life appeared on Earth. In this paper, we exploit this scientific questions and describe which technical specifications will drive in future generation telescopes.

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arXiv2025

The Emergence of Prebiotic Chemistry in the ISM

Contrary to popular belief, the interstellar medium (ISM) is not empty; it is filled with atoms, dust particles, and molecules. Some of these molecules may have been the very building blocks of life that, delivered to Earth via comets and meteorites, could have given rise to Life itself. A large-area single-dish telescope with superb sensitivity, field-of-view and multi-band instruments will allow us to explore the limits of chemical complexity in the interstellar medium, across our Galaxy and in external galaxies, determining whether amino acids, sugars, or RNA/DNA nucleobases can form in space.

astro-ph.IM↗

arXiv2025

Laboratory Detection and Rotational Spectroscopy of $trans$-HNSO: Implications for Astronomical Observations

Sulfur-bearing molecules are central to interstellar chemistry, yet their observed abundances in the gas phase remain far below cosmic expectations in dense interstellar regions. Mixed N-S-O species such as thionylimide (HNSO) are particularly relevant, as they incorporate three key biogenic elements. The $cis$ conformer of HNSO has recently been detected in the Galactic Center cloud G+0.693-0.027, but no high-resolution data for the higher energy conformer ($trans$-HNSO) had been available until now. We report the first laboratory detection and rotational spectroscopic characterization of $trans$-HNSO. Spectra were recorded with the Center for Astrochemical Studies Absorption Cell (CASAC) free-space spectrometer employing a hollow-cathode discharge source, yielding 104 assigned transitions between 200 and 530 GHz. A Watson S-reduced Hamiltonian fit reproduced the data with an rms of 40 kHz, providing accurate rotational and centrifugal distortion constants in excellent agreement with CCSD(T) predictions. Although $trans$-HNSO lies only a few kcal/mol above the $cis$ form, it has larger dipole components, making its lines particularly intense (more than 5 times brighter, assuming equal abundances) and a very promising candidate for future astronomical detection. The new measurements enable reliable frequency predictions for astronomical searches and will be added to public databases. Combined with recent evidence for tunneling-driven $trans$-to-$cis$ isomerization at cryogenic temperatures, these results open the way to test directly whether quantum tunneling governs the interstellar distribution of HNSO isomers.

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arXiv2025

Rotational Spectroscopy and Tentative Interstellar Detection of 3-Hydroxypropanal (HOCH$_2$CH$_2$CHO) in the G+0.693-0.027 Molecular Cloud

We synthesized the astrochemically relevant molecule 3-hydroxypropanal (HOCH$_2$CH$_2$CHO) and subsequently measured and analyzed its rotational spectrum in several frequency regions ranging from 130 to 485 GHz. We analyzed the ground vibrational state as well as the two perturbed lowest-lying vibrationally excited states. With the resulting rotational parameters, we searched for this molecule in the Sagittarius B2(N) and NGC 6334I hot cores, the IRAS 16293-2422B hot corino, and the G+0.693-0.027 and TMC-1 molecular clouds. Rotational emission of 3-hydroxypropanal was tentatively detected toward G+0.693-0.027 and a column density of (8.6$\pm$1.4)$\times$10$^{12}$ cm$^{-2}$ was determined. However, this molecule was not detected in the other sources that were investigated. The chemical implications of this tentative discovery are analyzed and several potential chemical formation pathways of this species are discussed.

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arXiv2025

Formation of hydroxy, cyano and ethynyl derivatives of C4H4 isomers in the interstellar medium

The study of cyclic hydrocarbons is of utmost relevance in current astrochemical research, as they are considered to be among the most significant reservoirs of carbon in the interstellar medium. However, while unsaturated cyclic hydrocarbons with three, five, and six carbon atoms have been widely investigated, the highly strained antiaromatic cyclobutadiene, c-C4H4, still remains uncharted. Here, we employed high-level CCSD(T)-F12/cc-pVTZ-F12//B2PLYPD3/aug-cc-pVTZ theoretical calculations to analyze whether the cyano (CN), ethynyl (CCH), and hydroxy (OH) derivatives of c-C4H4 and its structural isomers butatriene (H2CCCCH2) and vinylacetylene (H2CCHCCH) can readily form via the gas-phase reaction: C4H4 + X -> C4H3X + H (where X = CN, CCH, and OH). For each system, we thoroughly explored the corresponding potential energy surfaces, identifying their critical points to enable a detailed analysis of the thermochemistry. Hence, we found various exothermic pathways for the formation of CN and CCH derivatives of butatriene and vinylacetylene, with no net activation barriers, while the formation of the OH derivatives is in general less favorable. Prior to the mechanistic study, we also analyzed the complete conformational panorama and stability of all the derivatives at the CCSD(T)-F12/cc-pVTZ-F12 level. Overall, c-C4H3CN and c-C4H3CCH emerge as particularly promising candidates for interstellar detection, provided that the parental c-C4H4 is present in the gas phase. These findings highlight the potential for detecting polar derivatives of c-C4H4 as indirect evidence of its presence in the ISM, as it appears to be "invisible" to radioastronomical observations. Also, this study underscores the need for future laboratory and theoretical efforts to characterize the spectroscopic properties of the proposed derivatives, paving the way for their eventual identification in space.

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arXiv2025

Conformational isomerism of methyl formate: new detections of the higher-energy trans conformer and theoretical insights

In recent astrochemical studies it has become crucial to study all the complete conformational panorama of the molecule, some of which are potentially detectable in the interstellar medium (ISM). In this context, the isomeric ratio can be used as a powerful tool to distinguish between different formation routes of molecules with increasing levels of complexity. While the most stable cis conformer of methyl formate (CH3OCHO, MF) is ubiquitous in the ISM, there is just one tentative detection of the higher-energy trans form toward the envelope of the star-forming region Sgr B2(N). Here, we present the detections of trans-methyl formate toward the Galactic Center molecular cloud G+0.693-0.027 and the protostellar shock L1157-B1, providing definite observational evidence of its presence in the ISM. Numerous unblended or slightly blended $a$-type $K_a$ = 0, 1 transitions belonging to the $A$-substate of trans-MF have been identified in both sources. We derive a molecular column density for trans-methyl formate of N = (8.2 $\pm$ 0.4) $\times$10$^{12}$ cm$^{-2}$ and N = (1.6 $\pm$ 0.3) $\times$10$^{12}$ cm$^{-2}$, respectively, yielding a molecular abundance with respect to H$_2$ of $\sim$6 $\times$ 10$^{-11}$ and $\sim$8 $\times$ 10$^{-10}$. Therefore, we obtain cis/trans isomeric ratios of $\sim$72 and $\sim$34 toward G+0.693 and L1157-B1, which are $\sim$7 and 3 times larger than that found in the Sgr B2(N) region. These results are compared with new grain-surface theoretical computations, which suggest that a stereoespecific formation of trans-MF via the CH3O + HCO route on grain surfaces can qualitatively explain the observed cis/trans abundance ratio. Nevertheless, we show that additional stereoespecific gas-phase routes could also play a crucial role in maintaining the intricate balance between formation and destruction of trans-MF, ultimately leading to its detection.

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arXiv2025

On the abiotic origin of dimethyl sulfide: discovery of DMS in the Interstellar Medium

Following the discovery of dimethyl sulfide (CH$_3$SCH$_3$, DMS) signatures in comet 67P/Churyumov-Gerasimenko, we report the first detection of this organosulfur species in the interstellar medium, during the exploration of an ultradeep molecular line survey performed toward the Galactic Center molecular cloud G+0.693-0.027 with the Yebes 40$\,$m and IRAM 30$\,$m telescopes. We derive a molecular column density of $N$ = (2.6 $\pm$ 0.3)$\times$10$^{13}$ cm$^{-2}$, yielding a fractional abundance relative to H$_2$ of $\sim$1.9$\times$10$^{-10}$. This implies that DMS is a factor of $\sim$1.6 times less abundant than its structural isomer CH$_3$CH$_2$SH and $\sim$30 times less abundant than its O-analogue dimethyl ether (CH$_3$OCH$_3$) toward this cloud, in excellent agreement with previous results on various O/S pairs. Furthermore, we find a remarkable resemblance between the relative abundance of DMS/CH$_3$OH in G+0.693-0.027 ($\sim$1.7$\times$10$^{-3}$) and in the comet ($\sim$1.3$\times$10$^{-3}$). Although the chemistry of DMS beyond Earth is yet to be fully disclosed, this discovery provides conclusive observational evidence on its efficient abiotic production in the interstellar medium, casting doubts about using DMS as a reliable biomarker in exoplanet science.

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arXiv2024

ATOMS: ALMA Three-millimeter Observations of Massive Star-forming regions -- XIX. The origin of SiO emission

The production of silicon monoxide (SiO) can be considered as a fingerprint of shock interaction. In this work, we use high-sensitivity observations of the SiO (2-1) and H$^{13}$CO$^{+}$ (1-0) emission to investigate the broad and narrow SiO emission toward 146 massive star-forming regions in the ATOMS survey. We detected SiO emission in 136 regions and distinguished broad and narrow components across the extension of 118 sources (including 58 UC $H_{II}$ regions) with an average angular resolution of 2.5$^{\prime}$$^{\prime}$. The derived SiO luminosity ($L_{SiO}$) across the whole sample shows that the majority of $L_{SiO}$ (above 66$\%$) can be attributed to broad SiO, indicating its association with strong outflows. The comparison of the ALMA SiO images with the filamentary skeletons identified from H$^{13}$CO$^{+}$ and in the infrared data (at 4.5, 8, and 24 $mu$m), further confirms that most SiO emission originates from outflows. However, note that for nine sources in our sample, the observed SiO emission may be generated by expanding UC $H_{II}$ regions. There is a moderate positive correlation between the bolometric luminosity ($L_{bol}$) and $L_{SiO}$ for both components (narrow and broad). The UC $H_{II}$ sources show a weaker positive correlation between $L_{bol}$ and $L_{SiO}$ and higher $L_{SiO}$ compared to the sources without UC $H_{II}$ regions. These results imply that the SiO emission from UC $H_{II}$ sources might be affected by UV-photochemistry induced by UC $H_{II}$ regions.

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arXiv2024

Advancing spectroscopic understanding of HOCS$^+$: Laboratory investigations and astronomical implications

Sulphur-bearing species play crucial roles in interstellar chemistry, yet their precise characterisation remains challenging. Here, we present laboratory experiments aimed at extending the high-resolution spectroscopy of protonated carbonyl sulphide (HOCS$^+$), a recently detected molecular ion in space. Using a frequency-modulated free-space absorption spectrometer, we detected rotational transitions of HOCS$^+$ in an extended negative glow discharge with a mixture of H$_2$ and OCS, extending the high-resolution rotational characterisation of the cation well into the millimetre wave region (200-370 GHz). Comparisons with prior measurements and quantum chemical calculations revealed an overall agreement in the spectroscopic parameters. With the new spectroscopic dataset in hand, we re-investigated the observations of HOCS$^+$ towards G+0.693-0.027, which were initially based solely on K$_a$ = 0 lines contaminated by HNC$^{34}$S. This re-investigation enabled the detection of weak K$_a$ = 0 transitions, free from HNC$^{34}$S contamination. Our high-resolution spectroscopic characterisation also provides valuable insights for future millimetre and submillimetre astronomical observations of these species in different interstellar environments. In particular, the new high-resolution catalogue will facilitate the search for this cation in cold dark clouds, where very narrow line widths are typically observed.

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