Project leaders: Schlemmer, Stephan (PH1); Thorwirth, Sven (PH1); Asvany, Oskar (PH1)
In this sub-project we want to record spectra of negative ions which are believed to play a role in the physics and chemistry of the interstellar medium. They are a sink for the electrons produced by cosmic ray ionisation and some anions have already been found in the ISM but their role in the chemical evolution of the ISM is not understood very well. For small species like deprotonated methanol, CH3O– , we aim for rotationally resolved vibrational spectra and pure rotational spectra with our unique action spectroscopy methods. Such anions should be present in the ISM based on the very high abundance of the parent molecule and it will therefore be possible to detect them in CRC based collaborations by their fingerprint rotational spectra. Likewise, infrared spectra of negatively charged medium sized hydrocarbons, in particular polycyclic aromatic hydrocarbons (PAHs), will be recorded to obtain a first account of the amount of negatively charged PAHs. A first prime target in this research will be the benzene anion (C6H6– ) and also deprotonated benzene (C6H5– ). Such a new step in ion spectroscopy is needed in the era of the JWST and ALMA telescopes which provide infrared and also far-infrared spectra in tremendous detail such that more anions will be found and their role can be investigated.
Publications
2025
Baddeliyanage, Carlo; Karner, Joshua; Melath, Sruthi Purushu; Silva, Weslley G. D. P.; Schlemmer, Stephan; Asvany, Oskar
@article{2025JMoSp.40711978B,
title = {Extending the laboratory rotational spectrum of linear C_{3}H^{+}},
author = {Carlo Baddeliyanage and Joshua Karner and Sruthi Purushu Melath and Weslley G. D. P. Silva and Stephan Schlemmer and Oskar Asvany},
doi = {10.1016/j.jms.2024.111978},
year = {2025},
date = {2025-01-01},
urldate = {2025-01-01},
journal = {Journal of Molecular Spectroscopy},
volume = {407},
pages = {111978},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
@article{Thorwirth2024,
title = {Gas-Phase Infrared Action Spectroscopy of CH2Cl^{+} and CH3ClH^{+}: Likely Protagonists in Chlorine Astrochemistry},
author = {Sven Thorwirth and Kim Steenbakkers and Timon Danowski and Philipp C. Schmid and Luis Bonah and Oskar Asvany and Sandra Brünken and Stephan Schlemmer},
doi = {10.3390/molecules29030665},
issn = {1420-3049},
year = {2024},
date = {2024-02-00},
urldate = {2024-02-00},
journal = {Molecules},
volume = {29},
number = {3},
publisher = {MDPI AG},
abstract = {<jats:p>Two fundamental halocarbon ions, CH2Cl+ and CH3ClH+, were studied in the gas phase using the FELion 22-pole ion trap apparatus and the Free Electron Laser for Infrared eXperiments (FELIX) at Radboud University, Nijmegen (the Netherlands). The vibrational bands of a total of four isotopologs, CH235,37Cl+ and CH335,37ClH+, were observed in selected wavenumber regions between 500 and 2900 cm−1 and then spectroscopically assigned based on the results of anharmonic force field calculations performed at the CCSD(T) level of theory. As the infrared photodissociation spectroscopy scheme employed probes singly Ne-tagged weakly bound complexes, complementary quantum-chemical calculations of selected species were also performed. The impact of tagging on the vibrational spectra of CH2Cl+ and CH3ClH+ is found to be virtually negligible for most bands; for CH3ClH+–Ne, the observations suggest a proton-bound structural arrangement. The experimental band positions as well as the best estimate rotational molecular parameters given in this work provide a solid basis for future spectroscopic studies at high spectral resolutions.</jats:p>},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>Two fundamental halocarbon ions, CH2Cl+ and CH3ClH+, were studied in the gas phase using the FELion 22-pole ion trap apparatus and the Free Electron Laser for Infrared eXperiments (FELIX) at Radboud University, Nijmegen (the Netherlands). The vibrational bands of a total of four isotopologs, CH235,37Cl+ and CH335,37ClH+, were observed in selected wavenumber regions between 500 and 2900 cm−1 and then spectroscopically assigned based on the results of anharmonic force field calculations performed at the CCSD(T) level of theory. As the infrared photodissociation spectroscopy scheme employed probes singly Ne-tagged weakly bound complexes, complementary quantum-chemical calculations of selected species were also performed. The impact of tagging on the vibrational spectra of CH2Cl+ and CH3ClH+ is found to be virtually negligible for most bands; for CH3ClH+–Ne, the observations suggest a proton-bound structural arrangement. The experimental band positions as well as the best estimate rotational molecular parameters given in this work provide a solid basis for future spectroscopic studies at high spectral resolutions.</jats:p>
@article{Steenbakkers2024,
title = {Leak-out spectroscopy as alternative method to rare-gas tagging for the Renner–Teller perturbed HCCH^{+} and DCCD^{+} ions},
author = {Kim Steenbakkers and Tom van Boxtel and Gerrit C. Groenenboom and Oskar Asvany and Britta Redlich and Stephan Schlemmer and Sandra Brünken},
doi = {10.1039/d3cp04989b},
issn = {1463-9084},
year = {2024},
date = {2024-01-17},
urldate = {2024-01-17},
journal = {Phys. Chem. Chem. Phys.},
volume = {26},
number = {3},
pages = {2692--2703},
publisher = {Royal Society of Chemistry (RSC)},
abstract = {<jats:p>Vibronic coupling effects in the low-lying bending modes of the open-shell linear ions HCCH<jats:sup>+</jats:sup> and DCCD<jats:sup>+</jats:sup> have been investigated using cryogenic infrared action spectroscopy in combination with a free electron laser.</jats:p>},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>Vibronic coupling effects in the low-lying bending modes of the open-shell linear ions HCCH<jats:sup>+</jats:sup> and DCCD<jats:sup>+</jats:sup> have been investigated using cryogenic infrared action spectroscopy in combination with a free electron laser.</jats:p>
@article{2023A&A...680A..19C,
title = {Astronomical CH_{3}^{+} rovibrational assignments. A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk},
author = {P. Bryan Changala and Ning L. Chen and Hai L. Le and Bérenger Gans and Kim Steenbakkers and Thomas Salomon and Luis Bonah and Ilane Schroetter and Amélie Canin and Marie-Aline Martin-Drumel and Ugo Jacovella and Emmanuel Dartois and Séverine Boyé-Péronne and Christian Alcaraz and Oskar Asvany and Sandra Brünken and Sven Thorwirth and Stephan Schlemmer and Javier R. Goicoechea and Gaël Rouillé and Ameek Sidhu and Ryan Chown and Dries Van De Putte and Boris Trahin and Felipe Alarcón and Olivier Berné and Emilie Habart and Els Peeters},
doi = {10.1051/0004-6361/202347765},
year = {2023},
date = {2023-12-01},
urldate = {2023-12-01},
journal = {Astronomy & Astrophysics},
volume = {680},
pages = {A19},
key = {B8,C4},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Asvany and Schlemmer, “Rotational action spectroscopy of trapped molecular ions”, Phys. Chem. Chem. Phys. 23, 26602 (2021).
Brünken, Sipilä, Chambers, Harju, Caselli, Asvany, Honingh, Kamin ́ski, et al., “H2D+ observations give an age of at least one million years for a cloud core forming Sun-like stars”, Nature 516, 219 (2014).
Brünken, Kluge, Stoffels, Asvany, and Schlemmer, “Laboratory Rotational Spectrum of l-C3H+ and Confirmation of its Astronomical Detection”, ApJ Letters 783, L4 (2014).
Doménech, Jusko, Schlemmer, and Asvany, “The First Laboratory Detection of Vibration-rotation Tran- sitions of 12CH+ and 13CH+ and Improved Measurement of Their Rotational Transition Frequencies”, ApJ 857, 61 (2018).
Doménech, Schlemmer, and Asvany, “Accurate rotational rest frequencies for ammonium ion isotopo- logues”, ApJ 866, 158 (2018).
Jusko, Asvany, Wallerstein, Brünken, and Schlemmer, “Two photon rotational action spectroscopy of cold OH at 1 ppb accuracy”, Phys. Rev. Lett. 112, 253005 (2014).
Jusko, Stoffels, Thorwirth, Brünken, Schlemmer, and Asvany, “High-resolution vibrational and rota- tional spectroscopy of CD2H+ in a cryogenic ion trap”, J. Mol. Spectrosc. 332, 59 (2017).
McGuire, Asvany, Brünken, and Schlemmer, “Laboratory spectroscopy techniques to enable observa- tions of interstellar ion chemistry”, Nat. Rev. Phys. 2, 402 (2020).
Schmid, Asvany, Salomon, Thorwirth, and Schlemmer, “Leak-out Spectroscopy, a universal method of action spectroscopy in cold ion traps”, J. Phys. Chem. A 126, 8111 (2022).
Thorwirth, Schreier, Salomon, Schlemmer, and Asvany, “Pure Rotational Spectrum of CN+”, ApJ Letters 882, L6 (2019).
Day 1
25.03.2025
Lecture Hall
seminar room 1
seminar room 2
seminar room3
08.00
Departure Cologne
08.45
Departure Bonn
9.45-10.30
Registration / welcome coffee
Chair: Lucas Labadie
10.30 – 10.45
Stefanie Walch-Gassner
Welcome
10:45 – 11:00
Stefanie Walch-Gassner
CRC 1601 – the big questions
11:00 – 11:25
Progress on project area A
11:25 – 11:50
Progress on project area B
11:50 – 12:15
Progress on project area C
12:15 – 12:25
Volker Ossenkopf-Okada
Sustainability Board
12.30 – 13.30
Lunchbuffet
Chair:
13:30 – 13:45
Working group ogrzanizers: Chinmaya Nagar, Divita Gupta, Ina Galić, Masato Kobayashi, Simon Dannhauer, Vittoria Brugaletta, Wonju Kim, and Zein Bazzi
Achievement and progress report from SFB working groups.
13:45 – 14:00
Planning of discussion rounds
14.00 – 15.00
Student Meeting (incl. Student Council)
PI meeting
Discussion groups
Discussion groups
15:00 – 16:00
Discussion groups
PI meeting
Discussion groups
Discussion groups
16:00 – 16:30:00
Coffee break
Chair:
16.00 – 16.25
Petra Fackendahl, Isabelle Breloy
Report from TP Z & Financial
16:30 – 17:50
all
Discussion groups
Discussion groups
Discussion groups
Discussion groups
18.00
Dinner
Day 2
26.03.2025
Lecture Hall
seminar room 1
seminar room 2
seminar room3
08.00 – 09.00
Breakfast
Chair:
9:00 – 9:30
TBD
Wrap up of day 1, results of discussion groups
9:30 – 10:00
Discussion groups
Sustainability Board Meeting
Diversity Board Meeting
Executive Board Meeting
10:00 – 10:30
Discussion groups
Discussion groups
Discussion groups
10:30 – 11:00
Coffee Break
11.00-15.00
Hiking
Chair: Dominik Riechers
15:00 – 16:00
all
Poster presentations (2min)
16:00 – 17:00
Coffee Break & Poster reception
17:00 – 18:30
all
Discussion groups
Discussion groups
Discussion groups
Discussion groups
19:00 – 24:00
Dinnerparty
Day 3
27.03.2025
Lecture Hall
08.00 – 09.00
Breakfast
Chair:
9:00 – 10:30
TBD
Wrap up of day 2, results of discussion groups
10.30 – 11.00
Coffee Break
Chair:
11.00 – 11.15
Report by the Sustainability Board
11.15 – 11.30
Report by the Student Council
11.30 – 11.45
Report by the Diversity Board
12:10 – 12:25
Summary
12.30 – 13.30
Lunchbuffet
13.30 – 15.30
Members Assembly (obligatory)
16:00
Departure
Project Area C
The observational projects C1 to C3 and related theory projects C5 and C6 cover observations of the habitats of massive stars from tens of parsec to Mpc scales in “typical”, starburst, and AGN host galaxies over 13 billion years of the history of the universe, critically complementing the other project areas in scales, diversity of environments, and cosmic time. A combination of the most sensitive facilities like ALMA and JWST with new wide-field observatories like FYST/CCAT-prime make it possible to reach both the level of detail and statistical robustness to push these studies to the next level. To prepare for the future, critical detector and readout technology development is delivered by projects C7 and C8, as necessary to build a new generation of instruments that speed up the FYST/CCAT-prime surveys in C2 and C3 by an order of magnitude in the later funding phases. In tandem with these developments, the laboratory spectroscopy and modelling of molecular ions done in C4 are critical to fully exploit a suite of new key tracers of massive star-forming environments in the Early Universe, as targeted in C1.
Image credits: C3/C6 from Karoumpis et al. 2022; C4 from Töpfer et al. 2020; C7 provided by N. Honingh; C8 from Klein et al. 2012; Galaxy composite for C1, C2 and C5 is a composite image of NGC 628 with ALMA (orange) and Hubble (blue) data provided by NRAO/AUI/NSF, B. Saxton: ALMA (ESO/NAOJ/NRAO), NASA/Hubble; for the connection to project areas A and B we show Orion.
Project Area B
B studies the habitats of massive stars on galactic scales. We show a portion of the Galactic disc plane as observed with Spitzer in purple and with ATLASGAL in orange and the corresponding molecular clouds identified in SEDIGISM (credit: Wyrowski; Duarte-Cabral et al. 2021) showcasing the Milky Way part of projects B1 & B2. In B1, parsec-scale observations of Milky Way massive clumps are combined with synthetic observations based on high-resolution simulations7. In B2, high-feedback regions are studied (credit: Simon). B3 will study massive star habitats in nearby galaxies (credit: Bigiel/PHANGS). B2 and B3 make use of the new CHAI instrument to be installed at FYST/CCAT-prime. The low-frequency channel of CHAI is used to study the whole Galactic disc, the Magellanic Clouds, and nearby galaxies in CO (J = 4 – 3) and [CI]. The high-frequency channel of CHAI is developed in the first CRC funding period in B7 (credit: Graf/Honingh). B4 studies the impact of magnetic fields in different environments using different techniques (e.g. dust polarisation; the synthetic map shown is taken from Seifried et al. 2019). B5 studies the late stages of massive star habitats (supernova remnants) using a new combination observations towards pulsar sight- lines (credit: Yao et al. 2021) with state-of-the-art simulations of the multi-phase interstellar medium that include supernovae (see also B6; credit: Walch; Rathjen et al. 2021). In B8, the (far-)infrared spectra of molecular anions (e.g. PAHs) are recorded in the laboratory in order to better constrain the observed emission of massive star habitats (credit: Schlemmer)
Image credits: B1 background: ESO/APEX/ATLASGAL consortium/NASA/GLIMPSE consortium/ESA/Planck.
Project Area A
Habitats of massive stars at high resolution. We combine different methodological pillars. Three observational projects study different phases of massive star formation at high resolution. We include hot molecular cores (A1), massive star formation in different galactic habitats (A2), and the infrared view on massive stars in different environments (A3). These observational efforts are combined with laboratory astrophysics (A4) measuring the spectra of complex molecules and high-resolution 3D simulations of massive star formation and star cluster evolution (A5), as well as detailed modelling of PDRs and dust (A6) needed to interpret the observations.
Image credits: background: Gaia’s view of the Milky Way (credit: ESO/Gaia/DPAC). Foreground: (A1, A2 and A4) ALMA emission spectrum of a hot core and a synthetic, laboratory-based spectrum mirrored in absorption (credit: Endres et al. 2021); (A1) image of the Large Magellanic Cloud (LMC), with the zoom-in showing the ALMA 1.3 mm continuum emission of a cluster-forming region in the LMC (credit: Hamedani Golshan); (A2) ALMA observations of a super-stellar cluster progenitor in Sgr B2 with converging dense filaments and an expanding molecular outflow (credit: Schwörer, Sánchez-Monge); (A3) collage of massive star binaries in Orion (credit: GRAVITY collaboration, M. Karl); (A5) massive star formation simulation with the MHD code FLASH (credit: Klepitko, Walch); (A6) Orion Bar in HCO+ with PDR model description (credit: Röllig, Ossenkopf-Okada).
image credit
1_SFB2023_overview_title_asm: SgrB2: Schwörer, Sánchez-Monge (A); Orion KL: Bally et al. 2017 (A); M16: NASA, Jeff Hester, and Paul Scowen (Arizona State University) (A-B); Crab nebula: NASA, ESA, J. Hester and A. Loll (Arizona State University) (B); Antennae: ALMA (ESO/NAOJ/NRAO). Visible light image: the NASA/ESA Hubble Space Telescope (A); M82: NASA/JPL-Caltech/STScI/CXC/UofA/ESA/AURA/JHU (B-C); Universe: J.Neidel/J.Onorbe/MPIA (C).
