arXiv subjects

Gaël Rouillé

Publications and source records attributed to Gaël Rouillé.

12 recordsLinked to original sources

arXiv2025

PDRs4All XIX. The 6 to 9 $μ$m region as a probe of PAH charge and size in the Orion Bar

Infrared emission from polycyclic aromatic hydrocarbons (PAHs) play a major role in determining the charge balance of their host environments that include photo-dissociation regions (PDRs) in galaxies, planetary nebulae, and rims of molecular clouds. We aim to investigate the distribution and sizes of charged PAHs across the key zones of the Orion Bar PDR. We employ JWST MIRI-MRS observations of the Orion Bar from the Early Release Science program ''PDRs4All'' and synthetic images in the JWST MIRI filters. We investigate the spatial morphology of the AIBs at 6.2, 7.7, 8.6, and 11.0 $μ$m that commonly trace PAH cations, and the neutral PAH-tracing 11.2 $μ$m AIB, their (relative) correlations, and the relationship with existing empirical prescriptions for AIBs. The 6.2. 7.7, 8.6, 11.0, and 11.2 $μ$m AIBs are similar in spatial morphology, on larger scales. Analyzing three-feature intensity correlations, two distinct groups emerge: the 8.6 and 11.0 $μ$m vs. the 6.2 and 7.7 $μ$m AIBs. We attribute these correlations to PAH size. The 6.2 and 7.7 $μ$m AIBs trace cationic, medium-sized PAHs. Quantum chemical calculations reveal that the 8.6 $μ$m AIB is carried by large, compact, cationic PAHs, and the 11.0 $μ$m AIB's correlation to it implies, so is this band. The 6.2/8.6 and 7.7/8.6 PAH band ratios thus probe PAH size. We conclude that the 6.2/11.2 AIB ratio is the most reliable proxy for charged PAHs, within the cohort. We outline JWST MIRI imaging prescriptions that serve as effective tracers of the PAH ionization fraction as traced. This study showcases the efficacy of the 6-9 $μ$m AIBs to probe the charge state and size distribution of the emitting PAHs, offering insights into the physical conditions of their host environments. JWST MIRI photometry offers a viable alternative to IFU spectroscopy for characterizing this emission in extended objects.

astro-ph.GA↗

arXiv2025

Ultraviolet Spectra of Comets: Rejecting the Detection of Pentacene, Toluene, and Fe+

A recent study announced the detection of three bands in the ultraviolet emission spectra of more than a dozen comets, assigning two of them to pentacene (C$_{22}$H$_{14}$) and the third one to toluene (C$_7$H$_8$). The comparison of the spectra with the results of exploitable laboratorymeasurements on rare-gas-matrix-isolated pentacene and on jet-cooled toluene does not reveal elements that would justify the assignment, which is therefore unsubstantiated. The study also claimed the detection of an Fe II line in the gas of all but one comet. Yet, spectroscopic data on Fe II do not corroborate the attribution. Because spectroscopic measurements on the ultraviolet emission of pentacene in the gas phase are not available, this work also presents a synthetic spectrum of the S$_5$ $\rightarrow$ S$_0$ transition relevant to the wavelength range of the observations. Calculated using density functional theory and its time-dependent extension, the synthetic spectrum may facilitate the search for pentacene fluorescence in cometary spectra until laboratory measurements are accessible.

astro-ph.EP↗

arXiv2024

PDRs4All VIII: Mid-IR emission line inventory of the Orion Bar

Mid-infrared emission features probe the properties of ionized gas, and hot or warm molecular gas. The Orion Bar is a frequently studied photodissociation region (PDR) containing large amounts of gas under these conditions, and was observed with the MIRI IFU aboard JWST as part of the "PDRs4All" program. The resulting IR spectroscopic images of high angular resolution (0.2") reveal a rich observational inventory of mid-IR emission lines, and spatially resolve the substructure of the PDR, with a mosaic cutting perpendicularly across the ionization front and three dissociation fronts. We extracted five spectra that represent the ionized, atomic, and molecular gas layers, and measured the most prominent gas emission lines. An initial analysis summarizes the physical conditions of the gas and the potential of these data. We identified around 100 lines, report an additional 18 lines that remain unidentified, and measured the line intensities and central wavelengths. The H I recombination lines originating from the ionized gas layer bordering the PDR, have intensity ratios that are well matched by emissivity coefficients from H recombination theory, but deviate up to 10% due contamination by He I lines. We report the observed emission lines of various ionization stages of Ne, P, S, Cl, Ar, Fe, and Ni, and show how certain line ratios vary between the five regions. We observe the pure-rotational H$_2$ lines in the vibrational ground state from 0-0 S(1) to 0-0 S(8), and in the first vibrationally excited state from 1-1 S(5) to 1-1 S(9). We derive H$_2$ excitation diagrams, and approximate the excitation with one thermal (~700 K) component representative of an average gas temperature, and one non-thermal component (~2700 K) probing the effect of UV pumping. We compare these results to an existing model for the Orion Bar PDR and highlight the differences with the observations.

astro-ph.GA↗

arXiv2024

Gas-phase condensation of carbonated silicate grains

Reports on the detection of carbonates in planetary nebulae (PNe) and protostars suggested the existence of a mechanism that produce these compounds in stellar winds and outflows. A consecutive laboratory study reported a possible mechanism by observing the non-thermodynamic equilibrium (TE), gas-phase condensation of amorphous silicate grains with amorphous calcium carbonate inclusions. It concluded that water vapor was necessary to the formation of the carbonates. We present a laboratory study with pulsed laser ablation of an MgSi target in O$_2$ and CO$_2$ gases and report, in the absence of water vapor, the non-TE, gas-phase condensation of amorphous carbonated magnesium silicate dust. It consists of amorphous silicate grains with formula MgSiO$_3$ that comprise carbonate groups homogeneously dispersed in their structure. The infrared spectra of the grains show the characteristic bands of amorphous silicates and two bands at $\sim$6.3 and $\sim$7.0 $μ$m that we assign to the carbonate groups. The silicate bands are not significantly affected at an estimated Si:C ratio of 9:1 to 9:2. Such grains could form in winds and outflows of evolved stars and PNe if C atoms are present during silicate condensation. Additionally, we find that Lyman-$α$ radiation dissociates the carbonate groups at the surface of the carbonated silicate grains and we estimate the corresponding photodissociation cross section of (0.04 $\pm$ 0.02) $\times$ 10$^{-16}$ cm$^2$. Therefore, photodissociation would limit the formation of carbonate groups on grains in winds and outflows of stars emitting VUV photons and the carbonates observed in protostars have not formed by gas-phase condensation.

astro-ph.GA↗

arXiv2024

Water transport through mesoporous amorphous-carbon dust

The diffusion of water molecules through mesoporous dust of amorphous carbon (a-C) is a key process in the evolution of prestellar, protostellar, and protoplanetary dust, as well as in that of comets. It also plays a role in the formation of planets. Given the absence of data on this process, we experimentally studied the isothermal diffusion of water molecules desorbing from water ice buried at the bottom of a mesoporous layer of aggregated a-C nanoparticles, a material analogous to protostellar and cometary dust. We used infrared spectroscopy to monitor diffusion in low temperature (160 to 170 K) and pressure (6 $\times$ 10$^{-5}$ to 8 $\times$ 10$^{-4}$ Pa) conditions. Fick's first law of diffusion allowed us to derive diffusivity values on the order of 10$^{-2}$ cm$^2$ s$^{-1}$, which we linked to Knudsen diffusion. Water vapor molecular fluxes ranged from 5 $\times$ 10$^{12}$ to 3 $\times$ 10$^{14}$ cm$^{-2}$ s$^{-1}$ for thicknesses of the ice-free porous layer ranging from 60 to 1900 nm. Assimilating the layers of nanoparticles to assemblies of spheres, we attributed to this cosmic dust analog of porosity 0.80-0.90 a geometry correction factor, similar to the tortuosity factor of tubular pore systems, between 0.94 and 2.85. Applying the method to ices and refractory particles of other compositions will provides us with other useful data.

astro-ph.IM↗

arXiv2022

Hot exozodis: cometary supply without trapping is unlikely to be the mechanism

Excess near-infrared emission is detected around one fifth of main-sequence stars, but its nature is a mystery. These excesses are interpreted as thermal emission from populations of small, hot dust very close to their stars (`hot exozodis'), but such grains should rapidly sublimate or be blown out of the system. To date, no model has fully explained this phenomenon. One mechanism commonly suggested in the literature is cometary supply, where star-grazing comets deposit dust close to the star, replenishing losses from grain sublimation and blowout. However, we show that this mechanism alone is very unlikely to be responsible for hot exozodis. We model the trajectory and size evolution of dust grains released by star-grazing comets, to establish the dust and comet properties required to reproduce hot-exozodi observations. We find that cometary supply alone can only reproduce observations if dust ejecta has an extremely steep size distribution upon release, and the dust-deposition rate is extraordinarily high. These requirements strongly contradict our current understanding of cometary dust and planetary systems. Cometary supply is therefore unlikely to be solely responsible for hot exozodis, so may need to be combined with some dust-trapping mechanism (such as gas or magnetic trapping) if it is to reproduce observations.

astro-ph.EP↗

arXiv2021

The C60:C60+ ratio in diffuse and translucent interstellar clouds

Context. Insight into the conditions that drive the physics and chemistry in interstellar clouds is gained from determining the abundance and charge state of their components. Aims. We propose an evaluation of the C60:C60+ ratio in diffuse and translucent interstellar clouds that exploits electronic absorption bands so as not to rely on ambiguous IR emission measurements. Methods. The ratio is determined by analyzing archival spectra and literature data. Information on the cation population is obtained from published characteristics of the main diffuse interstellar bands attributed to C60+ and absorption cross sections already reported for the vibronic bands of the cation. The population of neutral molecules is described in terms of upper limit because the relevant vibronic bands of C60 are not brought out by observations. We revise the oscillator strengths reported for C60 and measure the spectrum of the molecule isolated in Ne ice to complete them. Results. We scale down the oscillator strengths for absorption bands of C60 and find an upper limit of approximately 1.3 for the C60:C60+ ratio. Conclusions. We conclude that the fraction of neutral molecules in the buckminsterfullerene population of diffuse and translucent interstellar clouds may be notable despite the non-detection of the expected vibronic bands. More certainty will require improved laboratory data and observations.

astro-ph.GA↗

arXiv2020

Separate silicate and carbonaceous solids formed from mixed atomic and molecular species diffusing in neon ice

The formation and growth of refractory matter on pre-existing interstellar dust grain surfaces was studied experimentally by annealing neon-ice matrices in which potential precursors of silicate grains (Mg and Fe atoms, SiO and SiO$_2$ molecules) and of solid carbon (C$_n$ molecules, $n$ = 2-10) were initially isolated. Other molecules, mainly O$_3$, CO, CO$_2$, C$_3$O, and H$_2$O, were embedded at the same time in the matrices. The annealing procedure caused the cold dopants to diffuse and interact in the neon ice. Monitoring the procedure in situ with infrared spectroscopy revealed the disappearance of the silicon oxide and carbon molecules at temperatures lower than 13 K, and the rise of the Si-O stretching band of silicates. Ex situ electron microscopy confirmed the formation of silicate grains and showed that their structure was amorphous. It also showed that amorphous carbon matter was formed simultaneously next to the silicate grains, the two materials being chemically separated. The results of the experiments support the hypothesis that grains of complex silicates and of carbonaceous materials are re-formed in the cold ISM, as suggested by astronomical observations and evolution models of cosmic dust masses. Moreover, they show that the potential precursors of one material do not combine with those of the other at cryogenic temperatures, providing us with a clue as to the separation of silicates and carbon in interstellar grains.

astro-ph.GA↗

arXiv2019

Threshold dissociation of the 1-ethynylpyrene cation at internal energies relevant to H I regions

Photoelectron photoion coincidence spectroscopy has been used to measure the threshold photoelectron spectrum of 1-ethynylpyrene and to obtain the breakdown graph describing the dissociation of the 1-ethynylpyrene cation. The threshold photoelectron measurement has allowed us to improve the determination of the ionization energy of 1-ethynylpyrene at 7.391 $\pm$ 0.005 eV. Concerning the main dissociation channels, the analysis of the breakdown graph has given 3.70 $\pm$ 0.60 eV as the activation energy for the loss of one H atom and 2.98 $\pm$ 1.80 eV for the loss of a second independent H atom. The corresponding entropies of activation are affected by large errors as observed in similar studies of other polycyclic aromatic hydrocarbon cations. Minor dissociation channels were also detected and identified as the loss of the C$_2$H group and the loss of a C$_2$H$_2$ unit and/or that of an H atom plus the C$_2$H group. The activation energies and the entropies of activation of these minor pathways could not be derived from the measurements. It is found that the cation of 1-ethynylpyrene behaves like the cation of pyrene and is consequently more photostable than the cation of 1-methylpyrene. We conclude that photodissociation is not the leading cause of the low abundance, if not the absence, of ethynyl-substituted polycyclic aromatic hydrocarbon species in the interstellar medium.

astro-ph.GA↗

arXiv2015

Dissociative photoionization of polycyclic aromatic hydrocarbon molecules carrying an ethynyl group

The life cycle of the population of interstellar polycyclic aromatic hydrocarbon (PAH) molecules depends partly on the photostability of the individual species. We have studied the dissociative photoionization of two ethynyl-substituted PAH species, namely, 9-ethynylphenanthrene and 1-ethynylpyrene. Their adiabatic ionization energy and the appearance energy of fragment ions have been measured with the photoelectron photoion coincidence (PEPICO) spectroscopy technique. The adiabatic ionization energy has been found at 7.84 +/- 0.02 eV for 9-ethynylphenanthrene and at 7.41 +/- 0.02 eV for 1-ethynylpyrene. These values are similar to those determined for the corresponding non-substituted PAH molecules phenanthrene and pyrene. The appearance energy of the fragment ion indicative of the loss of a H atom following photoionization is also similar for either ethynyl-substituted PAH molecule and its non-substituted counterpart. The measurements are used to estimate the critical energy for the loss of a H atom by the PAH cations and the stability of ethynyl-substituted PAH molecules upon photoionization. We conclude that these PAH derivatives are as photostable as the non-substituted species in HI regions. If present in the interstellar medium, they may play an important role in the growth of interstellar PAH molecules.

astro-ph.GA↗

arXiv2015

Cold condensation of dust in the ISM

The condensation of complex silicates with pyroxene and olivine composition at conditions prevailing in molecular clouds has been experimentally studied. For this purpose, molecular species comprising refractory elements were forced to accrete on cold substrates representing the cold surfaces of surviving dust grains in the interstellar medium. The efficient formation of amorphous and homogeneous magnesium iron silicates at temperatures of about 12 K has been monitored by IR spectroscopy. The gaseous precursors of such condensation processes in the interstellar medium are formed by erosion of dust grains in supernova shock waves. In the laboratory, we have evaporated glassy silicate dust analogs and embedded the released species in neon ice matrices that have been studied spectroscopically to identify the molecular precursors of the condensing solid silicates. A sound coincidence between the 10 micron band of the interstellar silicates and the 10 micron band of the low-temperature siliceous condensates can be noted.

astro-ph.GA↗

arXiv2013

Polyynyl-substituted PAH molecules and DIB carriers

Polycyclic aromatic hydrocarbon (PAH) molecules have been long considered promising candidates for the carriers of the diffuse interstellar bands (DIBs). The PAH-DIB hypothesis, however, raises two major issues. First, the number of interstellar PAH species is potentially orders of magnitude larger than the number of DIBs. Second, the absorption spectrum of a PAH is in general dominated by bands found at UV wavelengths while, conversely, DIBs are absent from the UV wavelength domain and arise at visible and near IR wavelengths. These issues do not necessarily weaken the PAH-DIB hypothesis and can actually allow us to refine it. In that context, we analyze the UV/vis absorption spectra of PAH molecules isolated in Ne matrices and propose that polyynyl-substituted PAHs, or similar species, are valid candidates for the carriers of the DIBs. Finally, a possible lifecycle for DIB-carrying PAHs is presented.

astro-ph.GA↗