Project A4 – SFB 1601

Project leaders: Schlemmer, Stephan (PH1); Thorwirth, Sven (PH1); Lewen, Frank (PH1)

It is the purpose of the sub-project to record rotational spectra of molecules which are abundant in the interstellar medium (ISM) and to investigate collisional excitation processes by new laboratory methods. One focus lies on recording the rotational spectra of vibrationally excited species. Comparing the intensities of these bands to those of ground state species will serve as tracers for the energetic state of the various habitats of high-mass star formation. The other focus lies on the development of spectroscopic tools to investigate the collisional excitation/de-excitation of such vibrational states. Both aspects are important for the interpretation of respective astrophysical observations and as input for the respective modeling of synthetic spectra.

Publications

2024

Müller, Holger S. P.; Ilyushin, Vadim V.; Belloche, Arnaud; Lewen, Frank; Schlemmer, Stephan

Investigation of the rotational spectrum of CH₃ ¹⁷OH and its tentative detection toward Sagittarius B2(N) Journal Article

In: A&A, vol. 688, pp. A201, 2024.

Links | BibTeX

Ilyushin, V. V.; Müller, H. S. P.; Drozdovskaya, M. N.; Jørgensen, J. K.; Bauerecker, S.; Maul, C.; Porohovoi, R.; Alekseev, E. A.; Dorovskaya, O.; Zakharenko, O.; Lewen, F.; Schlemmer, S.; Xu, L. -H.; Lees, R. M.

Rotational spectroscopy of CH₃OD with a reanalysis of CH₃OD toward IRAS 16293-2422 Journal Article

In: A&A, vol. 687, pp. A220, 2024.

Links | BibTeX

Müller, H. S. P.; Coutens, A.; Jørgensen, J. K.; Margulès, L.; Motiyenko, R. A.; Guillemin, J. -C.

The rotation-tunneling spectrum of 3-hydroxypropenal and confirmation of its detection toward IRAS 16293-2422 B Journal Article

In: A&A, vol. 687, 2024, ISSN: 1432-0746.

Abstract | Links | BibTeX

@article{Müller2024,

title = {The rotation-tunneling spectrum of 3-hydroxypropenal and confirmation of its detection toward IRAS 16293-2422 B},

author = {H. S. P. Müller and A. Coutens and J. K. Jørgensen and L. Margulès and R. A. Motiyenko and J.-C. Guillemin},

doi = {10.1051/0004-6361/202450029},

issn = {1432-0746},

year  = {2024},

date = {2024-06-24},

urldate = {2024-06-24},

journal = {A&A},

volume = {687},

publisher = {EDP Sciences},

abstract = {<jats:p><jats:italic>Context</jats:italic>. 3-Hydroxypropenal (HOCHCHCHO) is the lower energy tautomer of malonaldehyde which displays a complex rotation-tunneling spectrum. It was detected somewhat tentatively toward the solar-type protostellar system IRAS 16293-2422 with ALMA in the framework of the Protostellar Interferometric Line Survey (PILS). Several transitions, however, had large residuals, preventing not only their detection, but also the excitation temperature of the species from being determined unambiguously.</jats:p>

<jats:p><jats:italic>Aims</jats:italic>. We want to extend the existing rotational line list of 3-hydroxypropenal to shed more light on the recent observational results and to facilitate additional radio astronomical searches for this molecule.</jats:p>

<jats:p><jats:italic>Methods</jats:italic>. We recorded and analyzed the rotation-tunneling spectrum of 3-hydroxypropenal in the frequency regions between 150 and 330 GHz and between 400 and 660 GHz. Transitions were searched for in the PILS observations of IRAS 16293-2422. Local thermodynamic equilibrium (LTE) models were carried out and compared to the observations to constrain the excitation temperature. Additional transitions were searched for in other ALMA archival data of the same source to confirm the presence of 3-hydroxypropenal.</jats:p>

<jats:p><jats:italic>Results</jats:italic>. More than 7500 different spectral lines, corresponding to more than 11 500 transitions, were assigned in the course of our investigation with quantum numbers 2 ≤ <jats:italic>J</jats:italic> ≤ 100, <jats:italic>K</jats:italic><jats:sub><jats:italic>a</jats:italic></jats:sub> ≤ 59, and <jats:italic>K</jats:italic><jats:sub><jats:italic>c</jats:italic></jats:sub> ≤ 97, resulting in a greatly improved set of spectroscopic parameters. The comparison between the LTE models and the observations yields an excitation temperature of 125 K with a column density <jats:italic>N = 1.0 ×</jats:italic> 10<jats:sup>15</jats:sup> cm<jats:sup>−2</jats:sup> for this species. We identified seven additional lines of 3-hydroxypropenal that show a good agreement with the model in the ALMA archive data.</jats:p>

<jats:p><jats:italic>Conclusions</jats:italic>. The calculated rotation-tunneling spectrum of 3-hydroxypropenal has sufficient accuracy for radio astronomical searches. With the solution of the excitation temperature conundrum and the detection of seven more lines, we consider the detection of 3-hydroxypropenal toward IRAS 16293-2422 as secure.</jats:p>},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

Context. 3-Hydroxypropenal (HOCHCHCHO) is the lower energy tautomer of malonaldehyde which displays a complex rotation-tunneling spectrum. It was detected somewhat tentatively toward the solar-type protostellar system IRAS 16293-2422 with ALMA in the framework of the Protostellar Interferometric Line Survey (PILS). Several transitions, however, had large residuals, preventing not only their detection, but also the excitation temperature of the species from being determined unambiguously.
Aims. We want to extend the existing rotational line list of 3-hydroxypropenal to shed more light on the recent observational results and to facilitate additional radio astronomical searches for this molecule.
Methods. We recorded and analyzed the rotation-tunneling spectrum of 3-hydroxypropenal in the frequency regions between 150 and 330 GHz and between 400 and 660 GHz. Transitions were searched for in the PILS observations of IRAS 16293-2422. Local thermodynamic equilibrium (LTE) models were carried out and compared to the observations to constrain the excitation temperature. Additional transitions were searched for in other ALMA archival data of the same source to confirm the presence of 3-hydroxypropenal.
Results. More than 7500 different spectral lines, corresponding to more than 11 500 transitions, were assigned in the course of our investigation with quantum numbers 2 ≤ J ≤ 100, Ka ≤ 59, and Kc ≤ 97, resulting in a greatly improved set of spectroscopic parameters. The comparison between the LTE models and the observations yields an excitation temperature of 125 K with a column density N = 1.0 × 1015 cm−2 for this species. We identified seven additional lines of 3-hydroxypropenal that show a good agreement with the model in the ALMA archive data.
Conclusions. The calculated rotation-tunneling spectrum of 3-hydroxypropenal has sufficient accuracy for radio astronomical searches. With the solution of the excitation temperature conundrum and the detection of seven more lines, we consider the detection of 3-hydroxypropenal toward IRAS 16293-2422 as secure.

Bonah, Luis; Schlemmer, Stephan; Guillemin, Jean-Claude; Harding, Michael E.; Thorwirth, Sven

On the Spectroscopy of Phosphaalkynes: Millimeter- and Submillimeter-Wave Study of C₂H₅CP Journal Article

In: J. Phys. Chem. A, vol. 128, no. 24, pp. 4859–4866, 2024, ISSN: 1520-5215.

Links | BibTeX

Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Müller, H. S. P.; Margulès, L.

Submillimeter wave spectrum of methylene chloride, ¹²CH₂³⁵Cl₂, ¹²CH₂, ³⁵Cl³⁷Cl and ¹²CH₂³⁷Cl₂ up to 1.1 THz Journal Article

In: Journal of Quantitiative Spectroscopy and Radiative Transfer, vol. 319, pp. 108962, 2024.

Links | BibTeX

Sanz-Novo, Miguel; Rivilla, Víctor M.; Müller, Holger S. P.; Jiménez-Serra, Izaskun; Martín-Pintado, Jesús; Colzi, Laura; Zeng, Shaoshan; Megías, Andrés; López-Gallifa, Álvaro; Martínez-Henares, Antonio; Tercero, Belén; de Vicente, Pablo; Andrés, David San; Martín, Sergio; Requena-Torres, Miguel A.

Discovery of Thionylimide, HNSO, in Space: The first N-, S-, and O-bearing Interstellar Molecule Journal Article

In: ApJL, vol. 965, no. 2, 2024, ISSN: 2041-8213.

Abstract | Links | BibTeX

@article{Sanz-Novo2024,

title = {Discovery of Thionylimide, HNSO, in Space: The first N-, S-, and O-bearing Interstellar Molecule},

author = {Miguel Sanz-Novo and Víctor M. Rivilla and Holger S. P. Müller and Izaskun Jiménez-Serra and Jesús Martín-Pintado and Laura Colzi and Shaoshan Zeng and Andrés Megías and Álvaro López-Gallifa and Antonio Martínez-Henares and Belén Tercero and Pablo de Vicente and David San Andrés and Sergio Martín and Miguel A. Requena-Torres},

doi = {10.3847/2041-8213/ad3945},

issn = {2041-8213},

year  = {2024},

date = {2024-04-01},

urldate = {2024-04-01},

journal = {ApJL},

volume = {965},

number = {2},

publisher = {American Astronomical Society},

abstract = {<jats:title>Abstract</jats:title>

               <jats:p>We present the first detection in space of thionylimide (HNSO) toward the Galactic center molecular cloud G + 0.693-0.027, thanks to the superb sensitivity of an ultradeep molecular line survey carried out with the Yebes 40 m and IRAM 30 m telescopes. This molecule is the first species detected in the interstellar medium containing, simultaneously, N, S, and O. We have identified numerous <jats:italic>K</jats:italic>

                  <jats:sub>

                     <jats:italic>a</jats:italic>

                  </jats:sub> = 0, 1, and 2 transitions belonging to HNSO covering from <jats:italic>J</jats:italic>

                  <jats:sub>up</jats:sub> = 2 to <jats:italic>J</jats:italic>

                  <jats:sub>up</jats:sub> =10, including several completely unblended features. We derive a molecular column density of <jats:italic>N</jats:italic> = (8 ± 1)×10<jats:sup>13</jats:sup> cm<jats:sup>−2</jats:sup>, yielding a fractional abundance relative to H<jats:sub>2</jats:sub> of ∼6 × 10<jats:sup>−10</jats:sup>, which is about ∼37 and ∼4.8 times less abundant than SO and SO<jats:sub>2</jats:sub>, respectively. Although there are still many unknowns in the interstellar chemistry of NSO-bearing molecules, we propose that HNSO is likely formed through the reaction of the NSO radical and atomic H on the surface of icy grains, with alternative routes also deserving exploration. Finally, HNSO appears as a promising link between N, S, and O interstellar chemistry, and its discovery paves the route to the detection of a new family of molecules in space.</jats:p>},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

2023

Fatima, Mariyam; Müller, Holger S. P.; Zingsheim, Oliver; Lewen, Frank; Rivilla, Víctor M.; Jiménez-Serra, Izaskun; Martín-Pintado, Jesús; Schlemmer, Stephan

Millimetre and submillimetre spectroscopy of isobutene and its detection in the molecular cloud G+0.693 Journal Article

In: Astronomy & Astrophysics, vol. 680, pp. A25, 2023.

Links | BibTeX

Bast, Marcel; Böing, Julian; Salomon, Thomas; Thorwirth, Sven; Asvany, Oskar; Schäfer, Mathias; Schlemmer, Stephan

Ro-vibrational spectra of Csbnd C stretching modes of C₃H⁺ and HC₃O⁺ Journal Article

In: Journal of Molecular Spectroscopy, vol. 398, pp. 111840, 2023.

Links | BibTeX

References

Endres, Caselli, and Schlemmer, “State-to-state rate coefficients for NH3–NH3 collisions from pump–- probe chirped pulse experiments”, J. Phys. Chem. Lett. 10, 4836 (2019).
Endres, Martin-Drumel, Zingsheim, Bonah, Pirali, Zhang, Sánchez-Monge, Möller, et al., “SOLEIL and ALMA views on prototypical organic nitriles: C2H5CN”, J. Mol. Spectrosc. 375, 111392 (2021).
Endres, Schlemmer, Schilke, Stutzki, and Müller, “The Cologne Database for Molecular Spectroscopy, CDMS, in the Virtual Atomic and Molecular Data Centre, VAMDC”, J. Mol. Spectrosc. 327, 95 (2016).
Hermanns, Wehres, Lewen, Müller, and Schlemmer, “Rotational spectroscopy of the two higher energyconformers of 2-cyanobutane”, J. Mol. Spectrosc. 358, 25 (2019).
Liu, Walters, Wehres, Lewen, Schlemmer, and Müller, “Rotational rest frequencies of the low lyingvibrational states of n-propyl cyanide from extensive laboratory measurements up to 506 GHz”, A&A622, A82 (2019).
Martin-Drumel, Endres, Zingsheim, Salomon, Wijngaarden, Pirali, Gruet, Lewen, et al., “The SOLEILview on sulfur rich oxides: the S2O bending mode ⌫2 at 380 cm1 and its analysis using an AutomatedSpectral Assignment Procedure (ASAP)”, J. Mol. Spectrosc. 315, 72 (2015).
Müller, Belloche, Lewen, Drouin, Sung, Garrod, and Menten, “Toward a global model of the interactions in low-lying states of methyl cyanide: rotational and rovibrational spectroscopy of the v4 = 1 state and tentative interstellar detection of the v4 = v8 = 1 state in Sgr B2(N)”, J. Mol. Spectrosc. 378, 111449(2021).
Wehres, Maßen, Borisov, Schmidt, Lewen, Graf, Honingh, Higgins, et al., “A laboratory heterodyneemission spectrometer at submillimeter wavelengths”, Phys. Chem. Chem. Phys. 20, 5530 (2018).
Xu, Lees, Zakharenko, Müller, Lewen, Schlemmer, and Menten, “Millimeter-wave spectroscopy of the13CH3OD isotopic species of methyl alcohol”, J. Mol. Spectrosc. 378, 111473 (2021).
Zingsheim, Bonah, Lewen, Thorwirth, Mueller, and Schlemmer, “Millimeter-millimeter-wave double-modulation double-resonance spectroscopy”, J. Mol. Spectrosc. 381, 111519 (2021).