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].

As a result of collisions during their lifetimes, asteroids have a large variety of different shapes. It is believed that high velocity collisions or rotational spin-up of asteroids continuously replenish the Sun’s zodiacal cloud and debris disks around extrasolar planets (Jewitt (2010)). Knowledge of the spin and shape parameters of the asteroids is very important for understanding collision asteroid processes. Lately photometric observations of asteroids showed that variations in brightness are not accompanied by variations in colour index which indicate that the shape of the lightcurve is caused by varying illuminations of the asteroid surface rather than albedo variations over the surface. This conclusion became possible when photometric investigations were combined with laboratory experiments (Dunlap (1971)). In this article using the convex lightcurve inversion method we obtained the sense of rotation, pole solutions and preliminary shape of 901 Brunsia.

The identification of complex organic molecules, COMs, in inter- and circumstellar gas phase environments is steadily increasing. The formation of such COMs takes largely place on the icy dust grains, as has been shown in recent laboratory studies. Until now solid state features of smaller molecular species have been directly identified in these environments. The presented work on acetaldehyde (CH3CHO), ethanol (CH3CH2OH), and dimethyl ether (CH3OCH3) in different astronomically relevant ice environments and for temperatures in the range 15 to 160 Kelvin, provides the necessary tools to guide or interpret astronomical observations, specifically for upcoming James Webb Space Telescope observations.

Carbonaceous meteorites contain a large variety of complex organic molecules, including amino acids, nucleobases, sugar derivatives, amphiphiles, and other compounds of astrobiological interest. Photoprocessing of ices condensed on cold grains with ultraviolet (UV) photons was proposed as an efficient way to form such complex organics in astrophysical environments. This hypothesis was confirmed by laboratory experiments simulating photo-irradiation of ices containing H2O, CH3OH, CO, CO2, CH4, H2CO, NH3, HCN, etc., condensed on cold (~10–80 K) substrates. These experiments resulted in the formation of amino acids, nucleobases, sugar derivatives, amphiphilic compounds, and other organics comparable to those identified in carbonaceous meteorites. This work presents results for the formation of sugars, sugar alcohols, sugar acids, and their deoxy variants from the UV irradiation of ices containing H2O and CH3OH in relative proportions 2:1, and their comparison with meteoritic data. The formation mechanisms of these compounds and the astrobiological implications are also discussed.

We have succeeded in synthesizing organics, ‘Quenched Nitrogen-included Carbonaceous Composite (QNCC)’, via plasma chemical vapor deposition (CVD) method, whose infrared spectral properties reproduce the characteristics of the unidentified infrared (UIR) bands observed around classical novae. Past studies have shown that the UIR bands observed around novae appear somewhat differently from those observed in other astrophysical environment and are predominantly characterized by the presence of a broad 8μm feature. The remarkable similarity between the infrared properties of QNCC and the UIR bands in novae indicates that QNCC should be considered as a strong candidate of the carriers of the UIR bands in novae. Finally, we have started a space exposure experiment of QNCC aiming to explore the evolutional link between the QNCC and the insoluble organic molecule (IOM) in carbonaceous condrite and, thus, to infer the origins of organics in our solar system.

A Round Table discussion on the future of Laboratory Astrophysics and the role of IAU Commission B5 was held on the fourth day of the conference to discuss how the IAU Laboratory Astrophysics Commission (B5) can best support the astronomy community and help promote laboratory astrophysics.

The initial chemical composition of a proto-planetary nebula depends upon the degree to which 1) organic and ice components form on dust grains, 2) organic and molecular species form in the gas phase, 3) organics and ices are exchanged between the gas and solid state, and 4) the precursor and newly formed (more complex) materials survive and are modified in the developing planetary system. Infrared and radio observations of star-forming regions reveal that complex chemistry occurs on icy grains, often before stars even form. Additional processing, through the proto-planetary disk (PPD) further modifies most, but not all, of the initial materials. In fact, the modern Solar System still carries a fraction of its interstellar inheritance (Alexander et al. 2017). Here we focus on three examples of small bodies in our Solar System, each containing chemical and dynamical clues to its origin and evolution: the small-cold classical Kuiper Belt object (KBO) 2014 MU69, Pluto, and Saturn’s moon, Phoebe. The New Horizons flyby of 2014 MU69 has given the first view of an unaltered body composed of material originally in the solar nebula at ~45 AU. The spectrum of MU69 reveals methanol ice (not commonly found), a possible detection of water ice, and the noteworthy absence of methane ice (Stern et al. 2019). Pluto’s internal and surface inventory of volatiles and complex organics, together with active geological processes including cryo-volcanism, indicate a surprising level of activity on a body in the outermost region of the Solar System, and the fluid that emerges from subsurface reservoirs may contain material inherited from the solar nebula (Cruikshank et al. 2019a,b). Meanwhile, Saturn’s captured moon, Phoebe, carries high D/H in H2O (Clark et al. 2019) and complex organics (Cruikshank et al. 2008), both consistent with its formation in, and inheritance from, the outer region of the solar nebula. Together, these objects provide windows on the origin and evolution of our Solar System and constraints to be considered in future chemical and physical models of PPDs.

H2D+ and D2H+ are important chemical tracers of prestellar cores due to their pure rotational spectra that can be excited at the ~20 K temperature of these environments. The use of these molecules as probes of prestellar cores requires understanding the chemistry that forms and destroys these molecules. Of the eight key reactions that have been identified (Albertssonet al. 2013), five are thought to be well understood. The remaining three are the isotope exchange reactions of atomic D with H $${ + \over 3}$$, H2D+, and D2H+. Semi-classical results differ from the classical Langevin calculations by an order of magnitude (Moyano et al. 2004). To resolve this discrepancy, we have carried out laboratory measurements for these three reactions. Absolute cross sections were measured using a dual-source, merged fast-beams apparatus for relative collision energies between ~10 meV to ~10 eV (Hillenbrand et al. 2019). A semi-empirical model was developed incorporating high level quantum mechanical ab initio calculations for the zero-point-energy-corrected potential energy barrier in order to generate thermal rate coefficients for astrochemical models. Based on our studies, we find that these three reactions proceed too slowly at prestellar core temperatures to play a significant role in the deuteration of H $${ + \over 3}$$ isotopologues.

A key element when modeling dust in any astrophysical environment is a self-consistent treatment of the evolution of the dust material properties (size distribution, chemical composition and structure) as they react to and adjust to the local radiation field intensity and hardness and to the gas density and dynamics. The best way to achieve this goal is to anchore as many model parameters as possible to laboratory data. In this paper, I present two examples to illustrate how outstanding questions in dust modeling have been/are being moved forward by recent advances in laboratory astrophysics and what laboratory data are still needed to further advance dust evolution models.

The desorption of volatile molecules from dust grains in cold dense clouds is crucial for the chemical inventory in the various stages of cloud collapse. In this work we investigate the desorption of N2, CO, CH4 and CO2 from surfaces of hydrogenated amorphous carbon (HAC), which, according to IR observations, is one of the main components of interstellar dust.

Implementation of a novel experimental approach using a bright source of narrowband x-ray emission has enabled the production of a photoionized argon plasma of relevance to astrophysical modelling codes such as Cloudy. We present results showing that the photoionization parameter ζ = 4πF/ne generated using the VULCAN laser was ≈ 50 erg cm s−1, higher than those obtained previously with more powerful facilities. Comparison of our argon emission-line spectra in the 4.15 - 4.25 Å range at varying initial gas pressures with predictions from the Cloudy code and a simple time-dependent code are also presented. Finally we briefly discuss how this proof-of-principle experiment may be scaled to larger facilities such as ORION to produce the closest laboratory analogue to a photoionized plasma.

In dense interstellar clouds that are shielded from high-energy radiation (e.g., UV photons or cosmic rays), H-atom addition and abstraction reactions that take place on grain surfaces play principal roles in the synthesis or decomposition of complex organic molecules (COMs). These reactions are extensively investigated with laboratory experiments by bombarding astrophysical analogue ices with a beam of low-temperature H atoms. Here we demonstrate that, although 2-4 K solid para-H2 does not represent a typical environment of the surface of interstellar grains, para-H2 matrix isolation combined with IR spectroscopy is a complementary tool to sensitively detect astrochemical hydrogenation and dehydrogenation processes.