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We study the emission of dust grains within the Orion Bar - a well-known, highly far-UV (FUV)-irradiated PDR. The Orion Bar because of its edge-on geometry provides an exceptional benchmark for characterizing dust evolution and the associated driving processes under varying physical conditions. Our goal is to constrain the local properties of dust by comparing its emission to models. Taking advantage of the recent JWST PDRs4All data, we follow the dust emission as traced by JWST NIRCam (at 3.35 and 4.8 micron) and MIRI (at 7.7, 11.3, 15.0, and 25.5 micron), along with NIRSpec and MRS spectroscopic observations. First, we constrain the minimum size and hydrogen content of carbon nano-grains from a comparison between the observed dust emission spectra and the predictions of the THEMIS dust model coupled to the numerical code DustEM. Using this dust model, we then perform 3D radiative transfer simulations of dust emission with the SOC code and compare to data obtained along well chosen profiles across the Orion Bar. The JWST data allows us, for the first time, to spatially resolve the steep variation of dust emission at the illuminated edge of the Orion Bar PDR. By considering a dust model with carbonaceous nano-grains and submicronic coated silicate grains, we derive unprecedented constraints on the properties of across the Orion Bar. To explain the observed emission profiles with our simulations, we find that the nano-grains must be strongly depleted with an abundance (relative to the gas) 15 times less than in the diffuse ISM. The NIRSpec and MRS spectroscopic observations reveal variations in the hydrogenation of the carbon nano-grains. The lowest hydrogenation levels are found in the vicinity of the illuminating stars suggesting photo-processing while more hydrogenated nano-grains are found in the cold and dense molecular region, potentially indicative of larger grains., Comment: 18 pages, 11 figures, accepted for publication in A&A

[Abridged] JWST observations of the Orion Bar have shown the incredible richness of PAH bands and their variation on small scales. We aim to probe the photochemical evolution of PAHs across the key zones of the photodissociation region (PDR) that is the Orion Bar using unsupervised machine learning. We use NIRSpec and MIRI IFU data from the JWST ERS Program PDRs4All. We lever bisecting k-means clustering to generate detailed spatial maps of the spectral variability in several wavelength regions. We discuss the variations in the cluster profiles and connect them to the local physical conditions. We interpret these variations with respect to the key zones: the HII region, the atomic PDR zone, and the three dissociation fronts. The PAH emission exhibits spectral variation that depends strongly on spatial position in the PDR. We find the 8.6um band to behave differently than all other bands which vary systematically with one another. We find uniform variation in the 3.4-3.6um bands and 3.4/3.3 intensity ratio. We attribute the carrier of the 3.4-3.6um bands to a single side group attached to very similarly sized PAHs. Cluster profiles reveal a transition between characteristic profiles classes of the 11.2um feature from the atomic to the molecular PDR zone. We find the carriers of each of the profile classes to be independent, and reason the latter to be PAH clusters existing solely deep in the molecular PDR. Clustering also reveals a connection between the 11.2 and 6.2um bands; and that clusters generated from variation in the 10.9-11.63um region can be used to recover those in the 5.95-6.6um region. Clustering is a powerful tool for characterizing PAH variability on both spatial and spectral scales. For individual bands as well as global spectral behaviours, we find UV-processing to be the most important driver of the evolution of PAHs and their spectral signatures in the Orion Bar., Comment: 28 pages, 20 figures, submitted to A&A

The formation of grains in the interstellar medium, i.e., at low temperature, has been proposed as a possibility to solve the lifetime problem of cosmic dust. This process lacks a firm experimental basis, which is the goal of this study. We have investigated the condensation of SiO molecules at low temperature using neon matrix and helium droplet isolation techniques. The energies of SiO polymerization reactions have been determined experimentally with a calorimetric method and theoretically with calculations based on the density functional theory. The combined experimental and theoretical values have revealed the formation of cyclic (SiO)$_k$ ($k$ = 2--3) clusters inside helium droplets at $T$ = 0.37 K. Therefore, the oligomerization of SiO molecules is found to be barrierless and is expected to be fast in the low-temperature environment of the interstellar medium on the surface of dust grains. The incorporation of numerous SiO molecules in helium droplets leads to the formation of nanoscale amorphous SiO grains. Similarly, the annealing and evaporation of SiO-doped Ne matrices lead to the formation of solid amorphous SiO on the substrate. The structure and composition of the grains were determined by infrared absorption spectroscopy, transmission electron microscopy, and energy-dispersive X-ray spectroscopy. Our results support the hypothesis that interstellar silicates \textbf{can be formed} in the low temperature regions of the interstellar medium by accretion through barrierless reactions.

We propose to evaluate the contribution of polycyclic aromatic hydrocarbon molecules that carry side groups to the mid-infrared emission spectra. Within this framework, the IR absorption spectra of 2- and 9-vinylanthracene were measured in Ar matrices at 12 K and in CsI and polyethylene pellets at room temperature. The laboratory spectra were analyzed with the support of simulations based on the density functional theory. For each PAH molecule, eight IR spectra were computed by combining the B3LYP functional with as many different basis sets, namely 4-31G, 4-31G(d), 6-31G, 6-311G, 6-31G(d), 6-31G(d,p), 6-31+G(d,p), and 6-31++G(d,p). The comparison of the theoretical spectra with the laboratory data allowed us to determine the most suitable combinations for modeling the IR spectra of neutral PAH molecules that carry a vinyl side group. It was concluded from the examples of 2- and 9-VA that the optimum basis set is 6-31G unless a steric interaction has to be taken into account, in which case the optimum basis set is 6-31G(d). Thus, in the presence of such an interaction, the use of d-type polarization functions is recommended. We discuss the possibility for neutral vinyl-substituted PAHs to contribute to the mid-infrared emission spectra and find that their specific features do not match with the mid-infrared aromatic emission bands., Comment: Accepted for publication in The Astrophysical Journal

We report on the absorption spectra of the polycyclic aromatic hydrocarbon (PAH) molecules anthracene, phenanthrene, and pyrene carrying either an ethynyl (-C2H) or a butadiynyl (-C4H) group. Measurements were carried out in the mid infrared at room temperature on grains embedded in CsI pellets and in the near ultraviolet at cryogenic temperature on molecules isolated in Ne matrices. The infrared measurements show that interstellar populations of polyynyl-substituted PAHs would give rise to collective features in the same way non-substituted PAHs give rise to the aromatic infrared bands. The main features characteristic of the substituted molecules correspond to the acetylenic CH stretching mode near 3.05 mum and to the almost isoenergetic acetylenic CCH in- and out-of-plane bending modes near 15.9 mum. Sub-populations defined by the length of the polyynyl side group cause collective features which correspond to the various acetylenic CC stretching modes. The ultraviolet spectra reveal that the addition of an ethynyl group to a non-substituted PAH molecule results in all its electronic transitions being redshifted. Due to fast internal energy conversion, the bands at shorter wavelengths are significantly broadened. Those at longer wavelengths are only barely affected in this respect. As a consequence, their relative peak absorption increases. The substitution with the longer butadiynyl chain causes the same effects with a larger magnitude, resulting in the spectra to show a prominent if not dominating pi-pi* transition at long wavelength. After discussing the relevance of polyynyl-substituted PAHs to astrophysics, we conclude that this class of highly conjugated, unsaturated molecules are valid candidates for the carriers of the diffuse interstellar bands., Comment: 29 pages, 9 figures, accepted for publication in ApJ 2 April 2012

We present recent UV laboratory spectra of various polycyclic aromatic hydrocarbons (PAHs) and explore the potential of these molecules as carriers of the DIBs. From a detailed comparison of gas-phase and Ne-matrix absorption spectra of anthracene, phenanthrene, pyrene, 2,3-benzofluorene, benzo[ghi]perylene, and hexabenzocoronene with new interstellar spectra, we infer upper limits in the abundance of these PAHs in the interstellar medium. Upper limits in the column densities of anthracene of $0.8 - 2.8 \times 10^{12}$\ cm$^{-2}$ and of pyrene and 2,3-benzofluorene ranging from $2 - 8 \times 10^{12}$\ cm$^{-2}$ are inferred. Upper limits in the column densities of benzo[ghi]perylene are $0.9 - 2.4 \times 10^{13}$ and $10^{14}$ cm$^{-2}$ for phenanthrene. The measurements indicate fractional abundances of anthracene, pyrene, and 2,3-benzofluorene of a few times $10^{-10}$. Upper limits in the fractional abundance of benzo[ghi]perylene of a few times $10^{-9}$ and of phenanthrene of few times $10^{-8}$ are inferred. {Toward CPD $-32^\circ 1734$, we found near 3584 {\AA} an absorption line of OH$^+$, which was discovered in the interstellar medium only very recently. The fractional abundances of PAHs inferred here are up to two orders of magnitude lower than estimated total PAH abundances in the interstellar medium. This indicates that either neutral PAHs are not abundant in translucent molecular clouds, or that a PAH population with a large variety of molecules is present., Comment: 18 pages, 14 figures, paper accepted by A&A

A gas analyzer system has been developed to analyze Hydrogen-Deuteride (HD) gas for producing frozen-spin polarized HD targets, which are used for hadron photoproduction experiments at SPring-8. Small amounts of ortho-H$_{2}$ and para-D$_{2}$ gas mixtures ($\sim$0.01%) in the purified HD gas are a key to realize a frozen-spin polarized target. In order to obtain reliable concentrations of these gas mixtures in the HD gas, we produced a new gas analyzer system combining two independent measurements with the gas chromatography and the QMS. The para-H$_{2}$, ortho-H$_{2}$, HD, and D$_{2}$ are separated using the retention time of the gas chromatography and the mass/charge. It is found that the new gas analyzer system can measure small concentrations of $\sim$0.01% for the otho-H$_2$ and D$_2$ with good S/N ratios., Comment: 7 pages, 8 figures

Mixtures of polycylic aromatic hydrocarbons (PAHs) have been produced by means of laser pyrolysis. The main fraction of the extracted PAHs were primarily medium-sized, up to a maximum size of 38 carbon atoms per molecule. The use of different extraction solvents and subsequent chromatographic fractionation provided mixtures of different size distributions. UV-VIS absorption spectra have been measured at low temperature by matrix isolation spectroscopy and at room temperature with PAHs as film-like deposits on transparent substrates. In accordance with semi-empirical calculations, our findings suggest that large PAHs with sizes around 50 to 60 carbon atoms per molecule could be responsible for the interstellar UV bump at 217.5 nm., Comment: 6 pages, 4 Postscript figures, published in Astrophys. J. Lett. (2010)