Two laboratory emission spectrometers have been designed and described previously. Here, we present a follow-up study with special focus on absolute intensity calibration of the new SURFER-spectrometer (SUbmillimeter Receiver For Emission spectroscopy of Rotational transitions), operational between 300 and 400 GHz and coincident with ALMA (Atacama Large Millimeter/submillimeter Array) Band 7.

Furthermore, we present a feasibility study to extend the detection frequencies up to 2 THz. First results have been obtained using the SOFIA (Stratospheric Observatory for IR Astronomy) upGREAT laboratory setup which is located at the University of Cologne. Pure rotational spectra of the complex molecule vinyl cyanide have been obtained and are used to give an estimate on the sensitivity to record ro-vibrational transitions of molecules with astrophysical importance at 2 THz.

Syntheses of carbon dust analogues are key experiments in laboratory astrophysics, as an approach to study some chemical and topological features of interplanetary and interstellar carbon dust. We report a comparative experimental study for carbon dust analogues obtained in (1) an atmospheric pressure dielectric barrier discharge (DBD), fed with helium – saturated hydrocarbons gas mixtures, (2) a low pressure radio frequency (RF) discharge and (3) a pulsed laser deposition (PLD) experiment with a Nd:YAG laser and a graphite target. The aliphatic –C–H stretching band, known as the 3.4 micron feature, as well as the CH2/CH3 ratio, the H/C ratio value and the physical appearance at microscopic scale, show a variability that is influenced by the synthesis method and the experimental parameters of each specific technique.

Interstellar carbon has been detected in both gas-phase molecules and solid particles. The goal of this study is to identify the link between these two phases of cosmic carbon. Here we report preliminary results on the low temperature formation of carbonaceous dust grains from gas-phase aromatic hydrocarbon precursors. This is done using the supersonic expansion of an argon jet seeded with aromatic molecules and exposed to an electrical discharge. We report experimental evidence of efficient carbon dust condensation from aromatic molecules including benzene and naphthalene. The molecular content of the solid grains is probed with laser desorption mass spectrometry. The mass spectra reveal a rich molecular composition including fragments of the parent molecule but also growth into larger molecular species.

Recent experimental and theoretical works concerning gas-phase radical-neutral reactions involving Complex Organic Molecules are reviewed in the context of cold interstellar objects with a special emphasis on the OH + CH3OH reaction and its potential impact on the formation of CH3O.

Polycyclic aromatic hydrocarbons (PAH) and their derivatives, including protonated and cationic species, are suspected to be carriers of the unidentified infrared (UIR) emission bands observed from the galactic and extragalactic sources. We investigated the infrared (IR) spectra of protonated nonplanar PAHs: corannulene (C20H10) and sumanene (C21H12), that are regarded as a fragments of a fullerene,C60. The protonated corannulene H+ C20H10 and sumanene H+ C21H12 were produced in seperate experiments by bombarding a mixture of corannulene/sumanene and para-hydrogen (p-H2) with electrons during deposition at 3.2 K. During maintenance of the electron-bombarded matrix in darkness the intensities of IR lines of protonated corannulene decreased because of neutralization by electrons that were slowly released from the trapped sites whereas the hydrogenated species were produced. The observed lines were classified into several groups according to their responses to darkness and secondary irradiation at 365 nm/385 nm LEDs. Spectral assignments were derived based on a comparison of the observed spectra with those predicted with the B3PW91/6-311+ +G(2d,2p) method. The observed IR spectrum of hub-H+ C20H10, the most stable protonated isomer, resembles several bands of the Class-A UIR bands.

Chemistry in the interstellar medium is generally out-of-equilibrium and as such is kinetically controlled by a set of time-dependent equations, both for gas-phase chemistry and solid-state chemistry. The competition between the different possible reactions will determine toward which complex molecules the chemical network is driven to. The formation of complex molecules on the surface of the grains or in the ice mantle covering them is set by the diffusion-reaction equation, which is depending on temperature dependent reaction rate constants and diffusion coefficients. This paper shows how these two parameters can be experimentally determined by laboratory experiments. It also shows how the ice mantle reorganization plays an important role in the trapping and reactivity, which leads to the formation of complex organic molecules.

We describe recent simulations of interstellar and laboratory ices using the 3-D, off-lattice microscopic Monte Carlo kinetics model MIMICK. The simulations indicate that interstellar ices are capable of achieving porous structures, dependent on physical conditions. In some cases, such structures may be filled as they are formed, by mobile/volatile species such as H2 that become trapped in those structures. Simulations of laboratory water-ice deposition using MIMICK suggest that an additional non-thermal diffusion mechanism is required to reproduce the high degree of porosity achieved for experimental ices at temperatures less than ~80 K. This mechanism is related to the deposition process itself. Simulations of temperature-programmed desorption of mixed molecular ices are ongoing. The interstellar models have also recently been developed to incorporate a full gas-phase chemistry, coupled with the grain-surface chemistry.

The Titan Haze Simulation (THS) experiment is a unique experimental platform that allows to simulate Titan’s complex atmospheric chemistry at low Titan-like temperature by generating a plasma discharge in the stream of a plasma jet expansion. Both gas and solid phase products are generated and can be analyzed using different in-situ and ex-situ diagnostics. Here, we present an overall description of the work accomplished with the THS in the last 10 years, our current research efforts, and the important implications for the analysis of Cassini’s returned data and preparation for future Titan missions.

Silicate is the most popular dust species in the circumstellar envelope of evolved oxygen-rich stars, yet its seed particles have not been well identified. Among the candidates, corundum and SiO attract intense attention and study. SiO was suggested to be the seed particles in early 1980s and has received various supports as well as oppositions. In this work we investigate the relation of SiO maser and silicate dust emission powers. With both our own observation by using the PMO/Delingha 13.7-m telescope and the archival data, a sample is assembled of 21 SiO v=1, J=2-1 sources and 28 SiO v=1, J=1-0 sources that exhibit silicate emission features in the ISO/SWS spectrum. The analysis of their SiO maser and silicate emission power shows a moderate correlation, which agrees with the idea that SiO molecules are the seed nuclei of silicate dust.

The development of tunable dye lasers and a simple atomic and ionic beam source for all elements were critical in establishing a reliable absolute scale for atomic transition probabilities in the optical to near UV regions. The laboratory astrophysics program at the University of Wisconsin - Madison (UW) concentrates on neutral and singly-ionized species transitions that are observable in astronomical spectra of cool stars, emphasizing the rare earth n(eutron)-capture elements and the Fe-group elements that are important inputs to early Galactic nucleosynthesis studies. The UW program is one of several productive efforts on atomic transition probabilities. These programs generally use time-resolved laser-induced-fluorescence (TR-LIF) to accurately measure total decay rates and data from high resolution Fourier transform spectrometers (FTSs) to determine emission branching fractions (BFs). The UW laboratory results almost always are directly linked to astronomical chemical composition efforts. There are good opportunities to extend similar research to other wavelength regions.

The existence of cosmic dust is attested by the interstellar extinction and polarization, IR emission and absorption spectra, and elemental depletion patterns. Dust grains are efficiently processed or even destroyed in shocks, molecular clouds, or protoplanetary disks. A considerable amount of dust has to be re-formed in the ISM. In various astrophysical environments, dust grains are covered by molecular ices and therefore contribute or catalytically influence the chemical reactions in these layers. Laboratory experiments are desperately required to understand the evolution of grains and grain/ice mixtures in molecular clouds and early planetary disks. This review considers recent progress in laboratory approaches to dust/ice experiments.

Experimental and theoretical studies have shown that Complex Organic Molecules (COMs) can be formed on icy dusty grains in molecular clouds and protoplanetary disks. The number of astronomical detections of solid COMs, however, is very limited. With the upcoming launch of the James Webb Space Telescope (JWST) this should change, but in order to identify solid state features of COMs, accurate laboratory data are needed. Here we present high resolution (0.5 cm–1) infrared ice spectra of acetone (C3H6O) and methyl formate (HCOOCH3), two molecules already identified in astronomical gas phase surveys, whose interstellar synthesis is expected to follow solid state pathways.

The cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.

An exotic molecular inventory exists in space. While some species have well-known terrestrial analogs, others are very reactive and can hardly survive in the laboratory timely to allow for their characterization. With an eye toward these latter, we highlight in this contribution the role of quantum chemistry in providing astrochemically relevant data where experiment struggles. Special attention is given to the concept of molecular potential energy surfaces (PESs), a key aspect in theoretical chemical physics, and the possible dynamical attributes taken therefrom. As case studies, we outline our current efforts in obtaining global PESs of carbon clusters. It is thus hoped that, with such an active synergy between theoretical chemistry and state-of-the-art experimental/observational techniques (the pillars to the modern laboratory astrophysics), scientists may gather the required knowledge to explain the origins, abundances and the driving force toward molecular complexity in the Universe.

Observations of the mid-infrared (mid-IR, 3-15 μm) spectra of photo-dissociation regions reveal ubiquitous, broad and intense emission bands, the aromatic infrared bands (AIBs), attributed to polycyclic aromatic hydrocarbons (PAHs). Studies of the AIBs showed spectral variations (e.g. in the band positions) between different astrophysical objects, or even within single object, thanks to hyperspectral images. The James Webb Space Telescope (JWST) will allow to get further spectral and spatial details compared to former space observatories. This will come with large data sets, which will require specific tools in order to perform efficient scientific analysis.

We propose in this study a method based on blind signal separation to reduce the analysis of such large data set to that of a small number of elementary spectra, spectrally representative of the data set and physically interpretable as the spectra of populations of mid-IR emitters. The robustness and fastness of the method are improved compared to former algorithms. It is tested on a ISO-SWS data set, which approaches the best the characteristics of JWST data, from which four elementary spectra are extracted, attributed to cationic, neutral PAHs, evaporating very small grains and large and ionized PAHs.

The VAMDC Consortium intended to find a way for users to cite the datasets accessed through the infrastructure. The Research Data Alliance Data citation working group provided the researchers and data centres communities with a recommendation to identify and cite dynamic data. This recommendation perfectly matched the VAMDC needs: the proposed solution relies on a query centric view and the set-up of a Query Store. Data should be stored in a versioned time-stamped manner and accessed through queries. The Query Store we implemented for VAMDC is interlinked with Zenodo. Since Zenodo is indexed in OpenAIRE and since the latter implements Scholix, VAMDC indirectly implements Scholix via its Query Store. The paper outlines the successes and limitations of the above approach.

Supernovae provide environments with strong links to laboratory astrophysics. Diverse physical processes spanning from hot gas and semi-relativistic particles down to cold dusty clumps require extensive atomic data and understanding of processes across different physical regimes. The current status of modelling and analyzing supernova spectra is reviewed, with focus on recent results for diagnosing the production of oxygen and nickel.

Reactions on carbonaceous surfaces play an important role in processes such as H2 formation in the interstellar medium. We have investigated the adsorption of C2 molecules on a highly oriented pyrolytic graphite (HOPG) surface and then exposed them to a beam of deuterium atoms in order to investigate the formation of deuterated fullerenes. Scanning tunneling microscopy (STM) was used to probe the adsorbed molecules and their deuteration. Deuteration of C2 films results in increased thermal stability of the film, relative to films of pristine C2, along with an evolution towards higher deuterated species. The STM data provide confirmatory evidence for the formation of deuterated fullerene species.

Isopropyl-cyanide (iso-PrCN) was recently observed in Sagittarius B2 with an abundance higher than its straight-chain structure isomer (n-PrCN). Here we study theoretically by means of [UMP2(full)/aug-cc-pVTZ/Amber] a hybrid ab initio/molecular mechanics methodology, the routes leading to its formation on a formaldehyde doped water ice grain model of the interstellar medium. The reaction path and the energetics are calculated, the mechanism is found to be exothermic by ∼ 30 kcal/mol and the barrier is ∼ 70 kcal/mol. We use the CVT/ZCT semiclassical method to predict the kinetics of the reaction path starting from initially adsorbed HCN and CH2CHCH3 molecules colliding from the gas phase over the temperature range [100–500K].