Proyecto de Investigación: EVOLUCION FISICA Y QUIMICA DURANTE LA FORMACION DE ESTRELLAS Y PLANETAS
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PID2019-106235GB-I00
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Thiols in the Interstellar Medium: First Detection of HC(O)SH and Confirmation of C2H5SH
(IOP Science Publishing, 2021-04-30) Rodríguez Almeida, L. F.; Jiménez Serra, I.; Rivilla, Victor M.; Martín Pintado, J.; Zeng, S.; Tercero, B.; De Vicente, P.; Colzi, L.; Rico Villas, F.; Martín, S.; Requena Torres, Miguel Angel; Comunidad de Madrid; Agencia Estatal de Investigación (AEI); European Research Council (ERC); European Commission (EC); Rodríguez Almeida, L. F. [0000-0002-9785-703X]; Jiménez Serra, I. [0000-0003-4493-8714]; Rivilla, V. M. [0000-0002-2887-5859]; Martín Pintado, J. [0000-0003-4561-3508]; Tercero, B. [0000-0002-4782-5259]; Martín, S. [0000-0001-9281-2919]; Unidad de Excelencia Científica María de Maeztu Centro de Astrobiología del Instituto Nacional de Técnica Aeroespacial y CSIC, MDM-2017-0737
The chemical compounds carrying the thiol group (-SH) have been considered essential in recent prebiotic studies regarding the polymerization of amino acids. We have searched for this kind of compound toward the Galactic Center quiescent cloud G+0.693–0.027. We report the first detection in the interstellar space of the trans-isomer of monothioformic acid (t-HC(O)SH) with an abundance of ~1 × 10−10. Additionally, we provide a solid confirmation of the gauche isomer of ethyl mercaptan (g-C2H5SH) with an abundance of ~3 × 10−10, and we also detect methyl mercaptan (CH3SH) with an abundance of ~5 × 10−9. Abundance ratios were calculated for the three SH-bearing species and their OH analogs, revealing similar trends between alcohols and thiols with increasing complexity. Possible chemical routes for the interstellar synthesis of t-HC(O)SH, CH3SH, and C2H5SH are discussed, as well as the relevance of these compounds in the synthesis of prebiotic proteins in the primitive Earth.
Gas phase Elemental abundances in Molecular cloudS (GEMS) III. Unlocking the CS chemistry: the CS+O reaction
(EDP Sciences, 2021-02-02) Bulut, N.; Roncero, O.; Aguado, A.; Loison, J. C.; Navarro Almaida, D.; Wakelam, V.; Fuente, A.; Roueff, E.; Le Gal, R.; Caselli, P.; Gerin, M.; Hickson, K. M.; Spezzano, S.; Rivière Marichalar, P.; Alonso Albi, T.; Bachiller, R.; Jiménez Serra, I.; Kramer, C.; Tercero, B.; Rodríguez Baras, M.; García Burillo, S.; Goicoechea, Javier R.; Treviño Morales, S. P.; Esplugues, G.; Cazaux, S.; Commercon, B.; Laas, J. C.; Kirk, J.; Lattanzi, V.; Martín Doménech, R.; Muñoz Caro, G. M.; Pineda, Jaime E.; Ward Thompson, D.; Tafalla, M.; Marcelino, N.; Malinen, J.; Friesen, R.; Giuliano, B. M.; Agúndez, Marcelino; Hacar, A.; Agencia Estatal de Investigación (AEI); Marcelino, N. [0000-0001-7236-4047]; Roncero, O. [0000-0002-8871-4846]; Pineda, J. [0000-0002-3972-1978]; Agundez, M. [0000-0003-3248-3564]; Tafalla, M. [0000-0002-2569-1253]
Context. Carbon monosulphide (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. However, chemical models fail to account for the observed CS abundances when assuming the cosmic value for the elemental abundance of sulfur.
Aims. 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. Our goal is to calculate the CS+O reaction rate at temperatures <150 K which are prevailing in the interstellar medium.
Methods. We performed ab initio calculations to obtain the three lowest potential energy surfaces (PES) of the CS+O system. These PESs are used to study the reaction dynamics, using several methods (classical, quantum, and semiclassical) to eventually calculate the CS + O thermal reaction rates. In order to check the accuracy of our calculations, we compare the results of our theoretical calculations for T ~ 150−400 K with those obtained in the laboratory.
Results. 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, below 10−15 cm3 s−1, which is consistent with the extrapolation of experimental data using the Arrhenius expression.
Conclusions. We use the updated chemical network to model the sulfur chemistry in Taurus Molecular Cloud 1 (TMC 1) based on molecular abundances determined from Gas phase Elemental abundances in Molecular CloudS (GEMS) project observations. In our model, we take into account the expected decrease of the cosmic ray ionization rate, ζH2, along the cloud. The abundance of CS is still overestimated when assuming the cosmic value for the sulfur abundance.
H2S observations in young stellar disks in Taurus
(EDP Sciences, 2021-08-09) Rivière Marichalar, P.; Fuente, A.; Le Gal, R.; Arabhavi, A. M.; Cazaux, S.; Navarro Almaida, D.; Ribas, Álvaro; Mendigutía, I.; Barrado, D.; Montesinos Comino, B.; Agencia Estatal de Investigación (AEI); Rivière Marichalar, P. [0000-0003-0969-8137]
Context. Studying gas chemistry in protoplanetary disks is key to understanding the process of planet formation. Sulfur chemistry in particular is poorly understood in interstellar environments, and the location of the main reservoirs remains unknown. Protoplanetary disks in Taurus are ideal targets for studying the evolution of the composition of planet forming systems.
Aims. We aim to elucidate the chemical origin of sulfur-bearing molecular emission in protoplanetary disks, with a special focus on H2S emission, and to identify candidate species that could become the main molecular sulfur reservoirs in protoplanetary systems.
Methods. We used IRAM 30 m observations of nine gas-rich young stellar objects (YSOs) in Taurus to perform a survey of sulfur-bearing and oxygen-bearing molecular species. In this paper we present our results for the CS 3–2 (ν0 = 146.969 GHz), H2CO 21,1−11,0 (ν0 = 150.498 GHz), and H2S 11,0−10,1 (ν0 = 168.763 GHz) emission lines.
Results. We detected H2S emission in four sources out of the nine observed, significantly increasing the number of detections toward YSOs. We also detected H2CO and CS in six out of the nine. We identify a tentative correlation between H2S 11,0−10,1 and H2CO 21,1−11,0 as well as a tentative correlation between H2S 11,0−10,1 and H2O 818−707. By assuming local thermodynamical equilibrium, we computed column densities for the sources in the sample, with N(o-H2S) values ranging between 2.6 × 1012 cm−2 and 1.5 × 1013 cm−2.
PDRs4All VIII: Mid-IR emission line inventory of the Orion Bar
(EDP Sciences, 2024-04-04) Van De Putte, Dries; Meshaka, Raphael; Trahin, Boris; Habart, Emilie; Peeters, Els; Berné, Olivier; Alarcón, Felipe; Canin, Amélie; Chown, Ryan; Schroetter, Llane; Sidhu, Ameek; Boersma, Christiaan; Bron, Emeric; Dartois, Emmanuel; Goicoechea, Javier R.; Gordon, Karl D.; Onaka, Takashi; Tielens, Alexander G. G. M.; Verstraete, Laurent; Wolfire, Mark G.; Abergel, Alain; Bergin, Edwin A.; Bernard-Salas, Jeronimo; Cami, Jan; Cuadrado, Sara; Dicken, Daniel; Elyajouri, Meriem; Fuente, Asuncion; Joblin, Christine; Baria, Khan; Lacinbala, Ozan; Languignon, David; Le Gal, Romane; Maragkoudakis, Alexandros; Okada, Yoko; Pasquini, Sofia; Pound, Marc W.; Robberto, Massimo; Röllig, Markus; Schefter, Bethany; Schirmer, Thiébaut; Tabone, Benoit; Vicente, Sílvia; Zannese, Marion; Colgan, Sean W. J.; He, Jinhua; Rouillé, Gaël; Togi, Aditya; Aleman, Isabel; Auchettl, Rebecca; Baratta, Giuseppe Antonio; Bejaoui, Salma; Bera, Partha P.; Black, John H.; Boulanger, Francois; Bouwman, Jordy; Brandl, Bernhard; Brechignac, Philippe; Brünken, Sandra; Buragohain, Mridusmita; Burkhardt, Andrew; Candian, Alessandra; Cazaux, Stéphanie; Cernicharo, J.; Chabot, Marin; Chakraborty, Shubhadip; Champion, Jason; Cooke, Ilsa R.; Coutens, Audrey; Cox, Nick L. J.; Demyk, Karine; Donovan Meyer, Jennifer; Foschino, Sacha; García-Lario, Pedro; Gerin, Maryvonne; Gottlieb, Carl A.; Guillard, Pierre; Gusdorf, Antoine; Hartigan, Patrick; Herbst, Eric; Hornekaer, Liv; Issa, Lina; Jäger, Cornelia; Janot-Pacheco, Eduardo; Kannavou, Olga; Kaufman, Michael; Kemper, Francisca ; Kendrew, Sarah; Kirsanova, Maria S. ; Klaassen, Pamela; Kwok, Sun; Labiano, Alvaro; Lai, Thomas S.-Y.; Le Floch, Bertrand; Le Petit, Franck; Li, Aigen; Linz, Hendrik; Mackie, Cameron J.; Madden, Suzanne C.; Mascetti, Joëlle; McGuire, Brett A.; Merino, Pablo; Micelotta, Elisabetta R.; MorseJon A. ,; Mulas, Giacomo; Neelamkodan, Naslim; Ohsawa, Ryou; Omont, Alain; Paladini, Roberta; Palumbo, Maria Elisabetta; Pathak, Amit; Pendleton, Yvonne J.; Petrignani, Annemieke; Pino, Thomas; Puga, Elena; Rangwala, Naseem; Rapacioli, Mathias; Rho, Jeonghee; Ricca, Alessandra; Roman-Duval, Julia; Roser, Joseph; Roueff, Evelyne; Salama, Farid; Sales, Dinalva A.; Sandstrom, Karin; Sarre, Peter; Sciamma-O’Brien, Ella; Sellgren, Kris; Shenoy, Sachindev S.; Teyssier, David; Thomas, Richard D.; Witt, Adolf N.; Wootten, Alwyn; Ysard, Nathalie; Zettergren, Henning; Zhang, Yong; Zhang, Ziwei E.; Zhen, Junfeng; Chinese Academy of Sciences (CAS); Space Telescope Science Institute (STScI); Science and Engineering Research Board (SERB); Ministerio de Ciencia e Innovación (MICINN); Japan Society for the Promotion of Science (JSPS); European Commission (EC); Deutsche Forschungsgemeinschaft (DFG); Ames Research Center, NASA (ARC); Banaras Hindu University (BHU)
Context. Mid-infrared emission features are important probes of the properties of ionized gas and hot or warm molecular gas, which are difficult to probe at other wavelengths. The Orion Bar photodissociation region (PDR) is a bright, nearby, and frequently studied target containing large amounts of gas under these conditions. Under the “PDRs4All” Early Release Science Program for JWST, a part of the Orion Bar was observed with MIRI integral field unit (IFU) spectroscopy, and these high-sensitivity IR spectroscopic images of very high angular resolution (0.2″) provide a rich observational inventory of the mid-infrared (MIR) emission lines, while resolving the H II region, the ionization front, and multiple dissociation fronts.
Aims. We list, identify, and measure the most prominent gas emission lines in the Orion Bar using the new MIRI IFU data. An initial analysis summarizes the physical conditions of the gas and demonstrates the potential of these new data and future IFU observations with JWST.
Methods. The MIRI IFU mosaic spatially resolves the substructure of the PDR, its footprint cutting perpendicularly across the ionization front and three dissociation fronts. We performed an up-to-date data reduction, and extracted five spectra that represent the ionized, atomic, and molecular gas layers. We identified the observed lines through a comparison with theoretical line lists derived from atomic data and simulated PDR models. The identified species and transitions are summarized in the main table of this work, with measurements of the line intensities and central wavelengths.
Results. We identified around 100 lines and report an additional 18 lines that remain unidentified. The majority consists of H I recombination lines arising from the ionized gas layer bordering the PDR. The H I line ratios are well matched by emissivity coefficients from H recombination theory, but deviate by up to 10% because of contamination by He I lines. We report the observed emission lines of various ionization stages of Ne, P, S, Cl, Ar, Fe, and Ni. We show how the Ne III/Ne II, S IV/S III, and Ar III/Ar II ratios trace the conditions in the ionized layer bordering the PDR, while Fe III/Fe II and Ni III/Ni II exhibit a different behavior, as there are significant contributions to Fe II and Ni II from the neutral PDR gas. We observe the pure-rotational H2 lines in the vibrational ground state from 0–0 S(1) to 0–0 S (8), and in the first vibrationally excited state from 1–1 S (5) to 1–1 S(9). We derive H2 excitation diagrams, and for the three observed dissociation fronts, the rotational excitation can be approximated with one thermal (~700 K) component representative of an average gas temperature, and one nonthermal component (~2700 K) probing the effect of UV pumping. We compare these results to an existing model of the Orion Bar PDR, and find that the predicted excitation matches the data qualitatively, while adjustments to the parameters of the PDR model are required to reproduce the intensity of the 0–0 S (6) to S (8) lines.
