Submillimeter-wave spectroscopy and the radio-astronomical investigation of propynethial (HC≡CCHS)

Margulès, L.; McGuire, Brett A.; Evans, Corey J.; Motiyenko, R. A.; Remijan, Anthony J.; Guillemin, Jean‐Claude; Wong, Andy

doi:10.1051/0004-6361/202038230

Cited by 13 publications

(16 citation statements)

References 55 publications

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“…However, the transition they searched for towards TMC-1 has an upper energy level of 13.7 K and is predicted to be very weak by our models. Assuming the same source parameters and rotational temperature as for HCSCN, we derive a column density for this species of (3.2±0.4)×10 11 cm −2 , which is eight times lower than the upper limit derived by Margulès et al (2020). Therefore, we obtain an abundance ratio HCSCN/HCSCCH of 4±1.…”

Section: Detection Of Propynethial Hcscchmentioning

confidence: 58%

“…The obvious candidate is ethynyl thioformaldehyde (HCSCCH), also known as propynethial. This molecule has been observed in the laboratory up to 630 GHz and J max =107 (Brown & Godfrey 1982;Cabtree et al 2016;Margulès et al 2020). Its dipole moment components have been measured to be µ a =1.763 D and µ b =0.661 D (Brown & Godfrey 1982).…”

Section: Detection Of Propynethial Hcscchmentioning

confidence: 97%

“…The d 1 constant corresponds in this case to -δ J . (g) Rotational constants for HCSCCH derived from a fit to the data observed for this species by Brown & Godfrey (1982), Cabtree et al (2016), and Margulès et al (2020). The full set of distortion constants are provided by Margulès et al (2020).…”

Section: Notesmentioning

confidence: 99%

“…None of the detected lines is blended with any other feature from known species. This species was searched for towards different sources, including TMC-1, by Margulès et al (2020) with negative results. However, the transition they searched for towards TMC-1 has an upper energy level of 13.7 K and is predicted to be very weak by our models.…”

Section: Detection Of Propynethial Hcscchmentioning

confidence: 99%

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The sulphur saga in TMC-1: Discovery of HCSCN and HCSCCH

Cernicharo

Cabezas

Endo

et al. 2021

A&A

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We report the detection, for the first time in space, of cyano thioformaldehyde (HCSCN) and propynethial (HCSCCH) towards the starless core TMC-1. Cyano thioformaldehyde presents a series of prominent a-and b-type lines, which are the strongest previously unassigned features in our Q-band line survey of TMC-1. Remarkably, HCSCN is four times more abundant than cyano formaldehyde (HCOCN). On the other hand, HCSCCH is five times less abundant than propynal (HCOCCH). Surprisingly, we find an abundance ratio HCSCCH/HCSCN of ∼ 0.25, in contrast with most other ethynyl-cyanide pairs of molecules for which the CCH-bearing species is more abundant than the CN-bearing one. We discuss the formation of these molecules in terms of neutral-neutral reactions of S atoms with CH 2 CCH and CH 2 CN radicals as well as of CCH and CN radicals with H 2 CS. The calculated abundances for the sulphurbearing species are, however, significantly below the observed values, which points to an underestimation of the abundance of atomic sulphur in the model or to missing formation reactions, such as ion-neutral reactions.

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Section: Detection Of Propynethial Hcscchmentioning

confidence: 58%

Section: Detection Of Propynethial Hcscchmentioning

confidence: 97%

Section: Notesmentioning

confidence: 99%

Section: Detection Of Propynethial Hcscchmentioning

confidence: 99%

See 2 more Smart Citations

The sulphur saga in TMC-1: Discovery of HCSCN and HCSCCH

Cernicharo

Cabezas

Endo

et al. 2021

A&A

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“…In fact, the only analogous O-bearing molecules that have yet to be detected from the list are diacetylene ether (C 4 O), diacetylene ketone (C 5 O) and propadienone (CH 2 CCO). In addition, from a formation chemistry and detection point of view, it is very surprising that (CH 2 CCS) (Cernicharo et al 2021) has been detected as well as its thioaldehyde isomer -HCCCHS (Margulès et al 2020b). This is completely opposite from what is found in the O-analog species.…”

Section: Introductionmentioning

confidence: 94%

Expanding the submillimeter wave spectroscopy and astronomical search for thioacetamide (CH3CSNH2) in the ISM

Remijan,

Xue,

Margulès

et al. 2021

Preprint

Self Cite

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Context. One of the biggest unsolved mysteries of modern astrochemistry is understanding chemical formation pathways in the interstellar medium (ISM) and circumstellar environments (CSEs). The detections (or even nondetections) of molecules composed of low-abundance atomic species (such as S, P, Si, and Mg) may help to constrain chemical pathways. Thioacetamide (CH 3 CSNH 2 ) is the sulfur analog to acetemide (CH 3 CONH 2 ) and it is a viable candidate to search for in astronomical environments -specifically toward regions where other S-bearing molecules have been found and, if possible, that also contain a detection of CH 3 CONH 2 . If detected, it would not only continue to expand the view of molecular complexity in astronomical environments, but also help to better elucidate the possible formation pathways of these types of species in these environments. Aims. Our aim is to expand the frequency range of the measured rotational spectrum of CH 3 CSNH 2 beyond 150 GHz and then to use those measurements to extend the search for this species in the ISM. The new laboratory measurements and expanded search cover more parameter space for determining under what conditions CH 3 CSNH 2 may be detected, leading to possible constraints on the formation of large S-bearing molecules found in the ISM. Methods. The rotational spectrum of CH 3 CSNH 2 was investigated up to 650 GHz. Using the newly refined spectrum of CH 3 CSNH 2 , as well as additional spectroscopic data on the chemically related species CH 3 CONH 2 , a variety of astronomical sources were searched including data from the following large surveys: Prebiotic Interstellar Molecule Survey (PRIMOS) conducted with the Green Bank Telescope (GBT); Exploring molecular complexity with ALMA (EMoCA) conducted with the Atacama Large Millimeter/submillimeter Array (ALMA); and Astrochemical Surveys At IRAM (ASAI) conducted with the Institut de Radioastronomie Millimétrique (IRAM) 30m Telescope. Results. A total of 1428 transitions from the v t =0 state with maximum values J=47 and K a =20 in the range up to 330 GHz, and J=95 and K a =20 in the range from 400-660 GHz were assigned. We also assigned 321 transitions from the v t =1 state with the maximum values J=35 and K a =9 up to 330 GHz. We achieved a final fit with a root-mean-square deviation of 43.4 kHz that contains 2035 measured lines from our study and the literature for v t =0 and v t =1 states of A and E symmetries. The final fit is based on the rho-axismethod (RAM) Hamiltonian model that includes 40 parameters. An astronomical search for CH 3 CSNH 2 was conducted based on all the new spectroscopic data. No transitions of CH 3 CSNH 2 were detected toward any of the sources contained in our survey. Using the appropriate telescope and physical parameters for each astronomical source, upper limits to the column densities were found for CH 3 CSNH 2 toward each source.

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Rovibrational calculations without model Hamiltonians: The infrared and microwave spectra of thiopropynal

Das,

Rauhut

2024

Int J of Quantum Chemistry

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Rovibrational configuration interaction theory has been used to study the rotational spectrum and low lying rovibrational states of thiopropynal, a molecule, which has recently been detected in an interstellar cloud. Geometrical parameters, fundamental vibrational transitions and spectroscopic constants are also provided. All calculations rely on an ‐mode representation of the multidimensional potential energy surface, which has been obtained from explicitly correlated coupled‐cluster approaches including core correlation effects and an approximate treatment of high‐order coupled‐cluster terms. Comparison with experimental data is provided for several properties and the agreement was found to be excellent in most cases.

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Submillimeter-wave spectroscopy and the radio-astronomical investigation of propynethial (HC≡CCHS)

Cited by 13 publications

References 55 publications

The sulphur saga in TMC-1: Discovery of HCSCN and HCSCCH

The sulphur saga in TMC-1: Discovery of HCSCN and HCSCCH

Expanding the submillimeter wave spectroscopy and astronomical search for thioacetamide (CH3CSNH2) in the ISM

Rovibrational calculations without model Hamiltonians: The infrared and microwave spectra of thiopropynal

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