arXiv subjects

Takashi Onaka

Publications and source records attributed to Takashi Onaka.

At least 19 recordsLinked to original sources

arXiv2026

SPIRITS 19q: Dust Production by a Subsolar-metallicity Carbon-rich Wolf-Rayet Star in NGC 2403

We present JWST/NIRSpec IFU observations of SPIRITS 19q, the highly dust-producing carbon-rich (WC) binary candidate located in a subsolar-metallicity region of the nearby spiral galaxy NGC 2403. The observations, taken in April of 2024, confirm the association of a dusty outburst observed in 2019 by the Spitzer Space Telescope with an early-type WC star. Using models from the Potsdam Wolf-Rayet (PoWR) LMC model grid we find that the WC star of SPIRITS 19q likely has an especially high mass-loss rate ($\gtrsim$ 10$^{-4}$ $M_{\odot}$ yr$^{-1}$). From the flux peak of the IR transient as measured by Spitzer/IRAC as well as constraints on dust composition and size from the JWST spectrum, we estimate a total dust mass formed in the outburst of 6.6 $\pm$ 0.4 $\times$ 10$^{-6}$ $M_{\odot}$. Assuming a minimum orbital period of 12 years, this corresponds to a period-averaged dust production rate of $\lesssim$ 5.5 $\times$ 10$^{-7}$ $M_{\odot}$ yr$^{-1}$. These observations suggest that even a single WC system can contribute to the dust budget at subsolar metallicities, and that such systems are an important source of carbonaceous dust grains in the early universe.

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arXiv2026

PDRs4All XXII. Near-Infrared continuum in the Orion Bar

Conspicuous excess emission is present in the near-infrared (NIR) region in various objects, including reflection nebulae, planetary nebulae, and nearby galaxies. However, the spatial distribution and spectral shape of the excess emission remain poorly understood. We studied the NIR continuum emission spectroscopically and obtained its spatial distribution relative to the aromatic infrared band (AIB) at 3.3um in the Orion Bar prototypical photodissociation region (PDR). We aim to characterize its spectral shape and discuss its origin. We employed 3D spectroscopic data of the Orion Bar taken with the integrated field unit of NIRSpec on JWST from the Early Release Science program "PDRs4All." Contribution from the foreground ionized gas was estimated using the Cloudy code and subtracted. The observed regions were divided into nine physically distinct regions and an average spectrum was derived for each region. The nine regions, including the ionized gas, atomic PDR, and molecular PDR, clearly show remaining continuum in the region 1--4.5um. The continuum at wavelengths longer than 2.7um shows good correlations with the 3.3um AIB, while the correlation of the continuum at 1.2um is not significant. We further find that the NIR continuum in the Orion Bar can be approximated by a summation of two blackbodies. The low-temperature component correlates with the AIB well, while the high-temperature component does not. The average spectra also show absorption features at 3.0 and 4.27um, which are attributed to the presence in the spectra of water ice and CO2 ice. We discuss possible origins of the NIR continuum, among which recurrent fluorescence from carbon clusters better explains the observed low-temperature component. The presence of ice species suggests a contribution from a deeper layer of the PDR along the line of sight producing characteristic ice absorption features.

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arXiv2026

Near- to Far-Infrared Spectral Energy Distribution Analysis of Interacting Galaxies in Hickson Compact Groups 56 and Stephan's Quintet (HCG 92)

We investigate star formation activity in galaxies belonging to two Hickson Compact Groups (HCGs), HCG 56 and HCG 92 (Stephan's Quintet), both of which show clear evidence of interactions, using spectral energy distribution (SED) analysis across the near- to far-infrared range. By combining data from the Infrared Satellite AKARI, the Spitzer Space Telescope, and the Herschel Space Observatory, we examine how galactic interactions influence the physical conditions and the evolution of group members. The observed SEDs of member galaxies are compared with model SEDs representing both star-forming galaxies and active galactic nuclei (AGN). Star formation rates (SFRs) are estimated using two independent methods: (i) the strength of mid-infrared polycyclic aromatic hydrocarbon (PAH) bands and (ii) far-infrared luminosities attributed to star formation, as derived from the models. Although both methods yield generally consistent results, SFRs based on PAH features are systematically lower, possibly due to the PAH destruction in some interacting galaxies. When plotted against the stellar mass, all member galaxies are found below the main sequence of star-forming galaxies in the SDSS field, suggesting that interaction-induced starbursts are not seen in HCG 56 and HCG 92.

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arXiv2026

BISTRO Survey: Gravity-Dominated and Magnetically Regulated Star Formation in M17 SW

We present high-resolution magnetic field maps of the M17 SW molecular cloud using JCMT 850 $μ$m dust polarization at a scale of 14$''$. The magnetic field exhibits a distinct arc-like structure that encircles three dense clumps (C1, C2, and C3). By combining polarization data with ammonia line observations, the plane-of-sky magnetic field strength, measured using the Skalidis-Tassis method to minimize angle dispersion errors, ranges from 0.1 to 2.4 mG (mean: 0.54 mG). Energy budget analysis reveals a hierarchy dominated by gravity ($e_G \approx 10^{-7.8}$ erg cm$^{-3}$), which exceeds both magnetic ($e_B \approx 10^{-8.3}$ erg cm$^{-3}$) and turbulent ($e_k \approx 10^{-8.7}$ erg cm$^{-3}$) energies. Since all three energy densities lie within one order of magnitude, gravitational dominance acts primarily as the global driver, while the system remains in a state of near-equipartition. Structurally, the northeastern boundary shows magnetic field lines perpendicular to the shock front, consistent with compression from the adjacent HII region. Within the cloud, magnetic field lines generally align with gravity to assist collapse, but turn perpendicular to gravity within curved accretion bridges. This configuration provides support against radial collapse while guiding gas flow. Kinematic evidence suggests that these channels transport material from Clump C3 onto the massive Clump C2. Star formation in M17 SW is globally driven by gravity but locally regulated by the magnetic field structure.

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arXiv2026

Constraining properties of dust formed in Wolf-Rayet binary WR 112 using mid-infrared and millimeter observations

Binaries that host a carbon-rich Wolf-Rayet (WC) star and an OB-type companion can be copious dust producers. Yet the properties of dust, particularly the grain size distribution, in these systems remain uncertain. We present Band 6 observations of WR 112 by the Atacama Large Millimeter/submillimeter Array telescope (ALMA), which are the first millimeter observations of a WC binary system capable of resolving its dust emission. By combining ALMA observations with James Webb Space Telescope (JWST) images, we were able to analyze the spatially resolved spectral energy distribution (SED) of WR 112. We found that the SEDs are consistent with emissions from hydrogen-poor amorphous carbon grains. Notably, our results also suggest that the majority of grains in the system have radii below one micrometer, and the extended dust structures are dominated by nanometer-sized grains. Among four parameterizations of the grain radius distribution that we tested, a bimodal distribution, with abundant nanometer-sized grains and a secondary population of 0.1-micron grains, best reproduces the observed SED. This bimodal distribution helps to reconcile the previously conflicting grain size estimates reported for WR 112 and for other WC systems. We hypothesize that dust destruction mechanisms such as radiative torque disruption and radiative-driven sublimation are responsible for driving the system to the bimodal grain size distribution.

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arXiv2026

PDRs4All: XVIII. The evolution of the PAH ionisation and PAH size distribution across the Orion Bar

We investigate the evolution of the PAH population's charge state and size across key physical zones in the Orion Bar, which include the HII region, the atomic PDR (APDR), and three HI/H2 dissociation fronts (DF1, DF2, and DF3). Utilising the NASA Ames PAH Infrared Spectroscopic Database (PAHdb) and the pyPAHdb spectral modelling tool, we analysed the MIRI-MRS observations of the Orion Bar from the "PDRs4All" ERS Program. pyPAHdb modelling reveals the fractional contribution of the different PAH charge states and sizes to the total PAH emission across the Orion Bar. Cationic PAH emission peaks in the APDR region, where neutral PAHs have minimal contribution. Emission from neutral PAHs peaks in the HII region that consists of emission from a face-on PDR associated to the background OMC-1 molecular cloud, and in the molecular cloud regions past DF2. PAH anions are observed deep within the DF2 and DF3 zones. The average PAH size ranges between ~$60-74$ Nc. The modelling reveals regions of top-down PAH formation at the ionisation front, and bottom-up PAH formation within the molecular cloud region. The PAH ionisation parameter $γ$ ranges between ~$2-9 x 10^4$. Intensity ratios tracing PAH ionisation scale well with $γ$ in regions encompassing edge-on or face-on PDR emission, but their correlation weakens within the molecular cloud zone. Modelling of the $5-15$ $μ$m PAH spectrum with pyPAHdb achieves comprehensive characterization of the net contribution of neutral and cationic PAHs across different environments, whereas empirical PAH proxy intensity ratio tracers can be highly variable and unreliable outside regions dominated by PDR emission. The derived average PAH size in the different physical zones is consistent with a view of PAHs being more extensively subjected to ultraviolet processing closer to the ionisation front, and less affected within the molecular cloud.

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arXiv2026

Observation of an Accreting Planetary-Mass Companion with Signs of Disk-Disk Interaction in Orion

Young ($\lesssim 10$ Myr) planetary-mass companions (PMCs) provide valuable insights into the formation and early evolution of planetary systems. To date, only a dozen such objects have been identified through direct imaging. Using JWST/NIRCam observations towards the Orion Nebula, obtained as part of the \textit{PDRs4All} Early Release Science program, we have identified a faint point source near the M-type star V2376 Ori. Follow-up spectroscopic observations with the MUSE instrument on the VLT confirm that the source, V2376 Ori b, is indeed a young planetary-mass companion. It is a member of Orion D, around 80\,pc in the foreground of the Trapezium cluster of Orion and with an age of approximately $7 \pm 3$ Myr. We fit the SED of V2376 Ori b to infer a mass of $ \sim 20~M_{\rm Jup}$. The MUSE spectrum reveals several accretion tracers. Based on the H$α$ line intensity, we estimate an accretion rate of $\sim$10$^{-6.5 \pm 0.7}~\rm M_{Jup}\,yr^{-1}$, which is comparable to that of young PMCs such as PDS~70b. In addition, the MUSE data cube reveals extended emission in the [O\,\textsc{ii}] doublet at 7320 and 7330~Å, which is interpreted as evidence of a dynamical interaction between the two sources that, potentially, involves mass transfer between their individual accretion disks. These results demonstrate that JWST/NIRCam imaging surveys of young stellar associations can uncover new PMCs, which can then be confirmed and characterized through ground-based spectroscopic follow-up.

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arXiv2025

PDRs4All XX. Haute Couture: Spectral stitching of JWST MIRI-IFU cubes with matrix completion

MIRI is the imager and spectrograph covering wavelengths from $4.9$ to $27.9$ $μ$m onboard the James Webb Space Telescope (JWST). The Medium-Resolution Spectrometer (MRS) consists of four integral field units (IFU), each of which has three sub-channels. The twelve resulting spectral data cubes have different fields of view, spatial, and spectral resolutions. The wavelength range of each cube partially overlaps with the neighboring bands, and the overlap regions typically show flux mismatches which have to be corrected by spectral stitching methods. Stitching methods aim to produce a single data cube incorporating the data of the individual sub-channels, which requires matching the spatial resolution and the flux discrepancies. We present Haute Couture, a novel stitching algorithm which uses non-negative matrix factorization (NMF) to perform a matrix completion, where the available MRS data cubes are treated as twelve sub-matrices of a larger incomplete matrix. Prior to matrix completion, we also introduce a novel pre-processing to homogenize the global intensities of the twelve cubes. Our pre-processing consists in jointly optimizing a set of global scale parameters that maximize the fit between the cubes where spectral overlap occurs. We apply our novel stitching method to JWST data obtained as part of the PDRs4All observing program of the Orion Bar, and produce a uniform cube reconstructed with the best spatial resolution over the full range of wavelengths.

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arXiv2025

A Critical Examination of the PAH Hypothesis

The polycyclic aromatic hydrocarbon (PAH) hypothesis proposes that the aromatic infrared bands (AIBs) observed at 3.3, 6.2, 7.7, 8.6, 11.3, and 12.7 mic originate from gas-phase PAH molecules. These bands exhibit consistent peak wavelengths and profiles in diverse sources, and ISO SWS and JWST spectra show a nearly identical red wing of the 3.3 mic AIB and blue wing of the 11.2 mic AIB in the dominant Class A sources. This spectral uniformity suggests that the AIBs arise from a small, well-defined set of gas phase PAH species, regardless of the excitation conditions or the nature of the source such as HII regions, reflection nebulae, planetary nebula, young stellar objects, or the diffuse interstellar medium. However, a small number of gas phase PAH species is inconsistent with current modeling of the AIBs that require a wide range of PAH types and sizes. It is also inconsistent with the lack of observed UV and optical absorption bands from gas phase PAH molecules. Furthermore, there is no plausible formation pathway to produce only a small number of specific PAH molecules in the interstellar medium. These issues require quantitative investigation in order to definitively establish gas-phase PAH molecules as the carrier of the AIBs.

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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.

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arXiv2025

Searching for missing interstellar oxygen in the far-infrared

Study of interstellar elemental depletion poses an important problem in the interstellar matter that at least a quarter of the total oxygen ($\sim 160$ ppm relative to hydrogen) is not accounted for in any known form of oxygen in the translucent or dense interstellar medium (ISM). Detailed analysis of the absorption feature of water ice at 3 $μ$m suggests that one fifth of the missing oxygen may reside in 3 $μ$m-sized water ice grains. However, the 3 $μ$m feature becomes complex and weak for grains larger than 3 $μ$m, and thus the NIR spectroscopy is not the best means to study the presence of large ice grains reliably. Here we show that sensitive observations of the far-infrared (FIR) features of water ice at 44 and 62 $μ$m enable us to constrain the amount of crystalline water ice grains up to 5 $μ$m or even larger sizes unambiguously. Oxygen is one of the key elements in the ISM chemistry, and [O I] 63 $μ$m is a dominant cooling line in the neutral ISM. Understanding the actual form of the missing oxygen in the ISM is crucial for the study of the ISM and star-formation process. To detect the FIR features of the crystalline water ice over the expected strong continuum, a sensitive FIR spectrograph represented by PRIMA/FIRESS is indispensable. Since the feature is broad, the low spectral resolution of $R \sim 130$ is sufficient, but accurate relative calibration better than 1% is required.

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arXiv2025

The PRIMA promise of deciphering interstellar dust evolution with observations of the nearby Universe

This paper develops a few science cases, using the PRIMA far-IR probe, aimed at achieving several breakthroughs in our understanding of the dust properties and their evolution. We argue that the specific observational capabilities of PRIMA, namely its unprecedented sensitivity over the whole far-IR range and the possibility to obtain continuous spectra between wavelengths 24 and 235 microns, are essential to progress in our understanding of the physics of the interstellar medium and galaxy evolution. Our science cases revolve around observations of nearby galaxies. We discuss the importance of detecting the IR emission of the diffuse interstellar medium of these galaxies, including very low-metallicity systems. We also discuss the opportunity of detecting various solid-state features to understand the mineralogy of interstellar grains. Finally, we stress the unique opportunity brought by the possible simultaneous measures of both the dust continuum and the far-IR fine-structure gas lines. These science cases could be distributed in a few large programs.

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arXiv2025

The Aromatic Infrared Bands around the Wolf-Rayet Binary WR140 Revealed by JWST

We have analyzed the aromatic infrared bands (AIBs) in the 6-11.2 $μ$m range around the Wolf-Rayet binary WR140 (d=1.64 kpc) obtained with the James Webb Space Telescope (JWST) Mid-Infrared Instrument (MIRI) Medium-Resolution Spectrometer (MRS). In WR140's circumstellar environment, we have detected AIBs at 6 $μ$m and 7.7 $μ$m which are attributed to C-C stretching modes. These features have been detected in the innermost dust shell (Shell1; ~2100 au from WR140), the subsequent dust shell (Shell2; ~5200 au), and ``off-shell'' regions in the MRS coverage. The 11.2 $μ$m AIB, which is associated with the C-H out-of-plane bending mode, has been tentatively detected in Shell2 and the surrounding off-shell positions around Shell2. We compared the AIB features from WR140 to spectra of established AIB feature classes A, B, C, and D. The detected features around WR140 do not agree with these established classes. The peak wavelengths and full width half maxima (FWHMs) of the 6 $μ$m and 7.7 $μ$m features are, however, consistent with those of R Coronae Borealis (RCB) stars with hydrogen-poor conditions. We discuss a possible structure of carbonaceous compounds and environments where they form around WR140. It is proposed that hydrogen-poor carbonaceous compounds initially originate from the carbon-rich WR wind, and the hydrogen-rich stellar wind from the companion O star may provide hydrogen to these carbonaceous compounds.

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arXiv2025

PDRs4All XVI. Tracing aromatic infrared band characteristics in photodissociation region spectra with PAHFIT in the JWST era

Photodissociation regions (PDRs) exhibit emission between 3-20 um known as the Aromatic Infrared Bands (AIBs), originating from small carbonaceous species such as polycyclic aromatic hydrocarbons (PAHs). The AIB spectra observed in Galactic PDRs, such as the Orion Bar observations by the PDRs4All JWST program, are considered a local analog for those seen in extragalactic star-forming regions. We present the Python version of PAHFIT, a spectral decomposition tool that separates the contributions by AIB subcomponents, thermal dust emission, gas lines, stellar light, and dust extinction. By fitting segments of the Orion Bar spectra, we provide a configuration to decompose JWST spectra of PDRs in detail. The resulting central wavelengths and FWHM of the AIB subcomponents are compiled into a "PDR pack" for PAHFIT. We applied PAHFIT with this PDR pack and the default continuum model to spectra of the central star forming ring of the galaxy NGC7469. We introduce an alternate dust continuum model to fit the Orion Bar spectra, as the default PAHFIT continuum model mismatches the intensity at 15-26 um. Using the PDR pack and the alternate continuum model, PAHFIT reproduces the Orion Bar spectra with residuals of a few percent, and similar performance is achieved for the NGC7469 spectra. We provide PAHFIT-based diagnostics that trace the profile variations of the 3.3, 3.4, 5.7, 6.2, and 7.7 um AIBs, and thus the photochemical evolution of the AIB carriers. The 5.7 um AIB emission originates from at least two subpopulations, one more prominent in highly irradiated environments and one preferring more shielded environments. Smaller PAHs as well as very small grains or PAH clusters both thrive in the more shielded environments of the molecular zone in the Orion Bar. Based on these new diagnostics, we quantify the similarities between the AIB profiles observed in the Orion Bar and NGC7469.

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arXiv2025

Solar C/O ratio in planet-forming gas at 1 au in a highly irradiated disk

The chemical composition of exoplanets is thought to be influenced by the composition of the disks in which they form. JWST observations have unveiled a variety of species in numerous nearby disks, showing significant variations in the C/O abundance ratio. However, little is known about the composition and C/O ratio of disks around young stars in clusters exposed to strong ultraviolet (UV) radiation from nearby massive stars, which are representative of the environments where most planetary systems form, including ours. We present JWST spectroscopy of d203-504, a young 0.7 $\rm M_{\odot}$ star in the Orion Nebula with a 30 au disk irradiated by nearby massive stars. These observations reveal spectroscopic signatures of CO, H$_2$O, CH$_3^+$, and PAHs. Water and CO are detected in absorption in the inner disk ($r\lesssim 1$ au), where the estimated gas-phase C/O ratio is 0.48, consistent with the Solar value and that of the Orion Nebula. In contrast, \ch{CH3+} and PAHs are found in the extended surface layers of the disk. These results suggest that gas in the inner disk is chemically shielded from UV radiation while the surface layers of the disk experience UV-induced chemistry, potentially depleting their carbon content.

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arXiv2025

The JCMT BISTRO-3 Survey: Variation of magnetic field orientations on parsec and sub-parsec scales in the massive star-forming region G28.34+0.06

Magnetic fields play a significant role in star-forming processes on core to clump scales. We investigate magnetic field orientations and strengths in the massive star-forming clump P2 within the filamentary infrared dark cloud G28.34+0.06 using dust polarization observations made using SCUBA-2/POL-2 on the James Clerk Maxwell Telescope as part of the B-field In STar-forming Region Observations (BISTRO) survey. We compare the magnetic field orientations at the clump scale of ~2 parsecs from these JCMT observations with those at the core scale of ~0.2 parsecs from archival ALMA data, finding that the magnetic field orientations on these two different scales are perpendicular to one another. We estimate the distribution of magnetic field strengths, which range from 50 to 430 μG over the clump. The region forming the core shows the highest magnetic field strength. We also obtain the distribution of mass-to-flux ratios across the clump. In the region surrounding the core, the mass-to-flux ratio is larger than 1, which indicates the magnetic field strength is insufficient to support the region against gravitational collapse. Therefore, the change in the magnetic field orientation from clump to core scales may be the result of gravitational collapse, with the field being pulled inward along with the flow of material under gravity.

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arXiv2025

PDRs4All XIII. Empirical prescriptions for the interpretation of JWST imaging observations of star-forming regions

(Abridged) JWST continues to deliver incredibly detailed infrared (IR) images of star forming regions in the Milky Way and beyond. IR emission from star-forming regions is very spectrally rich due to emission from gas-phase atoms, ions, and polycyclic aromatic hydrocarbons (PAHs). Physically interpreting IR images of these regions relies on assumptions about the underlying spectral energy distribution in the imaging bandpasses. We aim to provide empirical prescriptions linking line, PAH, and continuum intensities from JWST images, to facilitate the interpretation of JWST images in a wide variety of contexts. We use JWST PDRs4All Near-Infrared Camera (NIRCam) and Mid-Infrared Instrument (MIRI) imaging and Near-Infrared Spectrograph (NIRSpec) integral field unit (IFU) and MIRI Medium Resolution Spectrograph (MRS) spectroscopic observations of the Orion Bar photodissociation region (PDR), to directly compare and cross-calibrate imaging and IFU data at ~100 AU resolution over a region where the radiation field and ISM environment evolves from the hot ionized gas to the cold molecular gas. We measure the relative contributions of line, PAH, and continuum emission to the NIRCam and MIRI filters as functions of local physical conditions. We provide empirical prescriptions based on NIRCam and MIRI images to derive intensities of emission lines and PAH features. Within the range of the environments probed in this study, these prescriptions accurately predict Pa-$α$, Br-$α$, PAH 3.3 $μ$m and 11.2 $μ$m intensities, while those for FeII 1.644 $μ$m, H$_2$ 1--0 S(1) 2.12 $μ$m and 1--0 S(9) 4.96 $μ$m, and PAH 7.7 $μ$m show more complicated environmental dependencies. Linear combinations of JWST NIRCam and MIRI images provide effective tracers of ionized gas, H$_2$, and PAH emission in PDRs. We expect these recipes to be useful for both the Galactic and extragalactic communities.

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arXiv2025

Investigating C-D out-of-plane vibrational modes in PAHs as a tool to study interstellar deuterium-containing PAHs

Previous as well as recent observations by ISO, Spitzer, AKARI, SOFIA, JWST etc. have revealed various characteristics of mid-infrared emission bands between 3-20 micron. Subsequently, several forms of organics including Polycylic Aromatic Hydrocarbons (PAHs)/PAH-like molecules are proposed as carriers for these bands. Deuterated PAH (PAD) is one such substituted PAH, which is proposed as a potential candidate carrier for weak emission bands at 4.4 and 4.65 micron, detected towards few astronomical targets and are characteristics of aromatic and aliphatic C-D stretching modes in a PAD molecule, respectively. However, the 4.4 micron band is not widely detected. In order to validate PADs as carriers for mid-infrared emission bands, an additional alternative tool is crucial. If PAHs are deuterated, they should also possess an inherent signature from the C-D out-of-plane (C-Doop) vibrations, which are at the longer wavelength side. In this report, features due to C-Doop modes in PAHs bearing a single to multiple deuterium atoms are reported by performing quantum-chemical calculations. This paper reports that some of the C-Doop vibrations appear at the 14-19 micron range. Also, the strength of C-Doop modes is not proportional to the D/H ratio in PAHs. In addition, a moderate change in the spectra of deuterated PAHs is observed from that of the undeuterated counterparts, as deuteration would alternate the adjacency class of the C-H bonds and the symmetry of the molecule. We discuss the efficiency and usefulness of these bands to constrain the form of PAHs emitting mid-infrared emission bands.

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