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We analyze JWST MIRI/MRS IFU observations of three Seyferts and showcase the intriguing polycyclic aromatic hydrocarbon (PAH) emission characteristics in regions of $\sim 500\,\rm pc$ scales over or around their active galactic nuclei (AGN). Combining the model predictions and the measurements of PAH features and other infrared emission lines, we find that the central regions containing a high fraction of neutral PAHs with small sizes, e.g., those in ESO137-G034, are in highly heated environments, due to collisional shock heating, with hard and moderately intense radiation fields. Such environments are proposed to be associated with inhibited growth or preferential erosion of PAHs, decreasing the average PAH size and the overall abundance of PAHs. We additionally find that the central regions containing a high fraction of ionized PAHs with large sizes, e.g., those in MCG-05-23-016, are likely experiencing severe photo-ionization because of the radiative effects from the radiative shock precursor besides the AGN. The severe photo-ionization can contribute to the ionization of all PAHs and further destruction of small PAHs. Overall, different Seyferts, even different regions in the same galaxy, e.g., those in NGC\,3081, can contain PAH populations of different properties. Specifically, Seyferts that exhibit similar PAH characteristics to ESO137-G034 and MCG-05-23-016 also tend to have similar emission line properties to them, suggesting that the explanations for PAH characteristics of ESO137-G034 and MCG-05-23-016 may also apply generally. These results have promising application in the era of JWST, especially in diagnosing different (i.e., radiative, and kinetic) AGN feedback modes., Comment: ApJL accepted on September 26th, title slightly modified in accordance with ApJL standards, Fig. 2 updated with additional labels

Utilizing JWST MIRI/MRS IFU observations of the kiloparsec scale central regions, we showcase the diversity of ionized gas distributions and kinematics in six nearby Seyfert galaxies included in the GATOS survey. Specifically, we present spatially resolved flux distribution and velocity field maps of six ionized emission lines covering a large range of ionization potentials ($15.8-97.1$ eV). Based on these maps, we showcase the evidence of ionized gas outflows in the six targets, and find some highly disturbed regions in NGC\,5728, NGC\,5506, and ESO137-G034. We propose AGN-driven radio jets plausibly play an important role in triggering these highly disturbed regions. With the outflow rates estimated based on [Ne~{\footnotesize V}] emission, we find the six targets tend to have ionized outflow rates converged to a narrower range than previous finding. These results have important implication for the outflow properties in AGN of comparable luminosity., Comment: 34 pages (11 pages in the appendix), 18 figures in the main text, ApJ in press (accepted on July 26th)

We study the 3.4-4.4$\mu$m fundamental rovibrational band of H3+, a key tracer of the ionization of the molecular interstellar medium (ISM), in a sample of 12 local (d< 400 Mpc) ultra/luminous infrared galaxies (U/LIRGs) observed with JWST/NIRSpec. The P, Q, and R branches of the band are detected in 13 out of 20 analyzed regions within these U/LIRGs, which increases the number of extragalactic H3+ detections by a factor of 6. For the first time in the ISM, the H3+ band is observed in emission in 3 of these regions. In the remaining 10 regions, the band is seen in absorption. The absorptions are produced toward the 3.4-4.4$\mu$m hot dust continuum rather than toward the stellar continuum, indicating that they likely originate in clouds associated with the dust continuum source. The H3+ band is undetected in Seyfert-like U/LIRGs where the mildly obscured X-ray radiation from the AGN might limit the abundance of this molecule. For the detections, the H3+ abundances, N(H3+)/N_H = (0.5-5.5)x10^-7, imply relatively high ionization rates between 3x10^-16 and >4x10^-15 s^-1, which are likely associated with high-energy cosmic rays. In half of the targets the absorptions are blue-shifted by 50-180 km/s, which are lower than the molecular outflow velocities measured using other tracers such as OH 119$\mu$m or rotational CO lines. This suggests that H3+ traces gas close to the outflow launching sites before it has been fully accelerated. We used nonlocal thermodynamic equilibrium models to investigate the physical conditions of these clouds. In 7 out of 10 objects, the H3+ excitation is consistent with inelastic collisions with H2 in warm translucent molecular clouds (T_kin ~ 250-500 K and n(H2) ~ 10^(2-3) cm^-3). In three objects, dominant infrared pumping excitation is required to explain the absorptions from the (3,0) and (2,1) levels of H3+ detected for the first time in the ISM., Comment: Accepted for publication in A&A Letters. 6 pages, 5 figures. Appendix: 5 pages, 4 figures

We present a systematic study of mid-infrared spectra of galaxies including star-forming galaxies and Active Galactic Nuclei observed with JWST MIRI-MRS and NIRSpec-IFU. We focus on the relative variations of the 3.3, 6.2, 7.7, 11.3, 12.7 and 17 micron Polycyclic Aromatic Hydrocarbon (PAH) features within spatially resolved regions of galaxies including NGC 3256, NGC 7469, VV 114, II Zw96 and NGC 5728. Using theoretical PAH models and extending our earlier work, we introduce a new PAH diagnostic involving the 17 micron PAH feature. To determine the drivers of PAH band variations in galaxies, we compare observed PAH spectral bands to predictions from theoretical PAH models. We consider extinction, dehydrogenation and PAH size and charge as possible drivers of PAH band variations. We find a surprising uniformity in PAH size distribution among the spatially resolved regions of the galaxies studied here, with no evidence for preferential destruction of the smallest grains, contrary to earlier findings. Neither extinction nor dehydrogenation play a crucial role in setting the observed PAH bands. Instead, we find that PAH charge plays a significant role in PAH inter-band variations. We find a tight relation between PAH charge and the intensity of the radiation field as traced by the [NeIII]/[NeII] maps. In agreement with recent JWST results, we find a predominance of neutral PAH molecules in the nuclei of Active Galaxies and their outflows. Ionised PAHs are the dominant population in star-forming galaxies. We discuss the implications of our findings for the use of PAHs as ISM tracers in high redshift galaxies., Comment: 16 pages, 13 figures, accepted for publication by MNRAS

High resolution (0."037-0."13 [10-35 pc]) e-MERLIN ($\lambda6-18$ cm) and (0."024 [6.5 pc]) ALMA ($\lambda 1.1$ mm) observations have been used to image OH (hydroxyl) and H$_2$CO (formaldehyde) megamaser emission, and HCN 3->2 emission towards the nuclear (<100 pc) region of the luminous infrared galaxy Zw049.057. Zw049.057 hosts a compact obscured nucleus (CON), thus representing a class of galaxies that are often associated with inflow and outflow motions. Formaldehyde megamaser emission is detected towards the nuclear region, <30 pc (<0."1), and traces a structure along the disk major axis. OH megamaser (OHM) emission is detected along the minor axis of the disk, ~30 pc (0."1) from the nucleus, where it exhibits a velocity gradient with extrema of -20 km/s south-east (SE) of the disk and -110 km/s north-west (NW) of the disk. HCN 3->2 emission reveals extended emission, along the disk minor axis out to ~60 pc (0."2). Analysis of the minor axis HCN emission reveals high-velocity features, extending out to 600 km/s, redshifted on the SE side and blueshifted on the NW side. We propose that the high-velocity HCN emission traces a fast >250 km/s and collimated outflow, that is enveloped by a wide-angle and slow ~50 km/s outflow that is traced by the OHM emission. Analysis of the outflow kinematics suggests that the slow wide-angle outflow will not reach escape velocity and instead will fall back to the galaxy disk, evolving as a so-called fountain flow, while the fast collimated outflow traced by HCN emission will likely escape the nuclear region. We suggest that the absence of OHM emission in the nuclear region is due to high densities there. Even though OHMs associated with outflows are an exception to conventional OHM emission, we expect them to be common in CON sources that host both OHM and H$_2$CO megamasers., Comment: 13 pages, 3 figures. Accepted to A&A

Polycyclic Aromatic Hydrocarbons (PAHs) are organic molecules which comprise the smallest particles of dust in the interstellar medium (ISM). Due to their broad/complex emission profiles, obtaining kinematics is a challenge with traditional methods, especially before the advent of the JWST. In this work we employ Principal Component Analysis (PCA) tomography to analyse JWST/NIRSpec IFU data of 3 nearby luminous infrared galaxies (LIRGs), namely, NGC 3256 N, NGC 3256 S and NGC 7469. We detect the signature of rotation in the second principal component of the 3.3 $\mu$m PAH feature in all three targets. We construct velocity maps from the principal components for the 3.3 $\mu$m PAH feature, Br$\beta$ (2.625$\mu$m) and molecular hydrogen, H$_2$ 1-0 S(1) (2.12$\mu$m). We find that in each target, the PAHs qualitatively follow the rotation of the galaxy, consistent with the rotational signature derived from Br$\beta$ and H$_2$. There are however some differences, with the PAH rotation in NGC 3256 N appearing at a different position angle, which suggest differences in the motion of the dust as compared to the gas. This kind of analysis opens a new window into this key component of the ISM., Comment: Accepted for publication in MNRAS Letters. Online supplementary material is included

We report the detection of extended (>0.5-1kpc) high-ionization [MgIV] 4.487 $\mu$m (80 eV) emission in four local luminous infrared galaxies observed with JWST/NIRSpec. Excluding the nucleus and outflow of the Type 1 active galactic nucleus (AGN) in the sample, we find that the [MgIV] luminosity is well correlated with that of H recombination lines, which mainly trace star forming clumps in these objects, and that the [ArVI] 4.530 $\mu$m (75 eV), usually seen in AGN, is undetected. On 100-400pc scales, the [MgIV] line profiles are broader (sigma([MgIV])=90 +- 25 km/s) and shifted (Delta_v up to +- 50 km/s) compared to those of the H recombination lines and lower ionization transitions (e.g., sigma(Hu-12)=57 +- 15 km/s). The [MgIV] kinematics follow the large scale rotating velocity field of these galaxies and the broad [MgIV] profiles are compatible with the broad wings detected in the H recombination lines. Based on these observational results, extended highly ionized gas more turbulent than the ambient interstellar medium, possibly as a result of ionizing shocks associated with star-formation, is the most likely origin of the [MgIV] emission. We also computed new grids of photoionization and shock models to investigate where the [MgIV] line originates. Shocks with velocities of 100-130 km/s reproduce the observed line ratios and the [MgIV] luminosity agrees with that expected from the mechanical energy released by supernove (SNe) in these regions. Therefore, these models support shocks induced by SNe as the origin of the [MgIV] line. Future studies on the stellar feedback from SNe will benefit from the [MgIV] line that is little affected by obscuration and, in absence of an AGN, can only be produced by shocks due to its high ionization potential., Comment: Accepted for publication in A&A Letters. 6 pages, 6 figures. Appendix: 8 pages, 10 figures

Polar dust has been discovered in a number of local Active Galactic Nuclei (AGN), with radiation-driven torus models predicting a wind to be its main driver. However, little is known about its characteristics, spatial extent, or connection to the larger scale outflows. We present the first JWST/MIRI study aimed at imaging polar dust by zooming onto the centre of ESO 428-G14, part of the Galaxy Activity, Torus, and Outflow Survey (GATOS) survey of local AGN. We detect extended mid-infrared (MIR) emission within 200 pc from the nucleus. This polar structure is co-linear with a radio jet and lies perpendicular to a molecular gas lane that feeds and obscures the nucleus. Its morphology bears a striking resemblance to that of gas ionised by the AGN in the narrow-line region. We demonstrate that part of this spatial correspondence is due to contamination within the JWST filter bands from strong emission lines. Correcting for the contamination, we find the morphology of the dust continuum to be more compact, though still clearly extended out to ~ 100 pc. We estimate the emitting dust has a temperature of ~ 120 K. Using simple models, we find that the heating of small dust grains by the radiation from the central AGN and/or radiative jet-induced shocks is responsible for the extended MIR emission. Radiation-driven dusty winds from the torus is unlikely to be important. This has important implications for scales to which AGN winds can carry dust and dense gas out into their host galaxies., Comment: 17 pages, 8 figures, 2 tables. Published in MNRAS

We present new optical GTC/MEGARA seeing-limited (0.9") integral-field observations of NGC 5506, together with ALMA observations of the CO(3-2) transition at a 0.2" (25 pc) resolution. NGC 5506 is a luminous (bolometric luminosity of $\sim 10^{44}$ erg/s) nearby (26 Mpc) Seyfert galaxy, part of the Galaxy Activity, Torus, and Outflow Survey (GATOS). We modelled the CO(3-2) kinematics with 3D-Barolo, revealing a rotating and outflowing cold gas ring within the central 1.2 kpc. We derived an integrated cold molecular gas mass outflow rate for the ring of 8 M$_{\odot}$/yr. We fitted the optical emission lines with a maximum of two Gaussian components to separate rotation from non-circular motions. We detected high [OIII]$\lambda$5007 projected velocities (up to 1000 km/s) at the active galactic nucleus (AGN) position, decreasing with radius to an average 330 km/s around 350 pc. We also modelled the [OIII] gas kinematics with a non-parametric method, estimating the ionisation parameter and electron density in every spaxel, from which we derived an ionised mass outflow rate of 0.076 M$_{\odot}$/yr within the central 1.2 kpc. Regions of high CO(3-2) velocity dispersion, extending to projected distances of 350 pc from the AGN, appear to be the result from the interaction of the AGN wind with molecular gas in the galaxy's disc. Additionally, we find the ionised outflow to spatially correlate with radio and soft X-ray emission in the central kiloparsec. We conclude that the effects of AGN feedback in NGC 5506 manifest as a large-scale ionised wind interacting with the molecular disc, resulting in outflows extending to radial distances of 610 pc, Comment: 24 pages, 30 figures, accepted for publication by Astronomy & Astrophysics

Mid-infrared (mid-IR) gas-phase molecular bands are powerful diagnostics of the warm interstellar medium. We report the James Webb Space Telescope detection of the CO v=1-0 (4.4-5.0 um) and H2O nu2=1-0 (5.0-7.8um) ro-vibrational bands, both in absorption, toward the ``s2'' core in the southwest nucleus of the merging galaxy VV 114 E. All ro-vibrational CO lines up to J_low=33 (E_low~3000 K) are detected, as well as a forest of H2O lines up to 13_{0,13} (E_low~2600 K). The highest-excitation lines are blueshifted by ~180 km s^{-1} relative to the extended molecular cloud, which is traced by the rotational CO J=3-2 346 GHz line observed with the Atacama Large Millimeter/submillimeter Array. The bands also show absorption in a low-velocity component (blueshifted by ~30 km s^{-1}) with lower excitation. The analysis shows that the bands are observed against a continuum with effective temperature of T_bck~550 K extinguished with tau_6um^ext~ 2.5-3 (A_k~6.9-8.3 mag). The high-excitation CO and H2O lines are consistent with v=0 thermalization with T_rot~450 K and column densities of N_CO~(1.7-3.5)x10^{19} cm^{-2} and N_H2O~(1.5-3.0)x10^{19} cm$^{-2}$. Thermalization of the v=0 levels of H2O requires either an extreme density of n_H2>~10^9 cm^{-3}, or radiative excitation by the mid-IR field in a very compact (<1 pc) optically thick source emitting ~10^{10} L_sun. The latter alternative is favored, implying that the observed absorption probes the very early stages of a fully enshrouded active black hole (BH). On the basis of a simple model for BH growth and applying a lifetime constraint to the s2 core, an intermediate-mass BH (IMBH, M_BH~4.5x10^4 M_sun) accreting at super-Eddington rates is suggested, where the observed feedback has not yet been able to break through the natal cocoon., Comment: Accepted for publication in Astronomy & Astrophysics

Fits the infrared spectra from the nuclear regions of AGN can place constraints on the dust properties, distribution, and geometry by comparison with models. However, none of the currently available models fully describe the observations of AGN currently available. Among the aspects least explored, here we focus on the role of dust grain size. We offer the community a new spectral energy distribution (SED) library, hereinafter [GoMar23] model, which is based on the two-phase torus model developed before with the inclusion of the grain size as a model parameter, parameterized by the maximum grain size Psize or equivalently the mass-weighted average grain size < P >. We created 691,200 SEDs using the SKIRT code, where the maximum grain size can vary within the range Psize = 0.01 - 10.0um ( < P >= 0.007 - 3.41um). We fit this new and several existing libraries to a sample of 68 nearby and luminous AGNs with Spitzer/IRS spectra dominated by AGN-heated dust. We find that the [GoMar23] model can adequately reproduce up to 85-88% of the spectra. The dust grain size parameter significantly improves the final fit in up to 90% of these spectra. Statistical tests indicate that the grain size is the third most important parameter in the fitting procedure (after the size and half opening angle of the torus). The requirement of a foreground extinction by our model is lower compared to purely clumpy models. We find that 41% of our sample requires that the maximum dust grain size is as large as Psize =10um (< P >= 3.41um). Nonetheless, we also remark that disk+wind and clumpy torus models are still required to reproduce the spectra of a non-negligible fraction of objects, suggesting the need for several dust geometries to explain the infrared continuum of AGN. This work provides tentative evidence for dust grain growth in the proximity of the AGN., Comment: 26 pages, 14 figures, 4 tables, accepted for publication in A&A

We extend the prediction of vibrational spectra to large sized polycyclic aromatic hydrocarbon (PAH) molecules comprising up to \sim 1500 carbon atoms by evaluating the efficiency of several computational chemistry methodologies. We employ classical mechanics methods (Amber and Gaff) with improved atomic point charges, semi-empirical (PM3, and density functional tight binding), and density functional theory (B3LYP) and conduct global optimizations and frequency calculations in order to investigate the impact of PAH size on the vibrational band positions. We primarily focus on the following mid-infrared emission bands 3.3, 6.2, 7.7, 8.6, 11.3, 12.7, and 17.0 microns. We developed a general Frequency Scaling Function (FSF) to shift the bands and to provide a systematic comparison versus the three methods for each PAH. We first validate this procedure on IR scaled spectra from the NASA Ames PAH Database, and extend it to new large PAHs. We show that when the FSF is applied to the Amber and Gaff IR spectra, an agreement between the normal mode peak positions with those inferred from the B3LYP/4-31G model chemistry is achieved. As calculations become time intensive for large sized molecules Nc > 450, this proposed methodology has advantages. The FSF has enabled extending the investigations to large PAHs where we clearly see the emergence of the 17.0 microns feature, and the weakening of the 3.3 microns one. We finally investigate the trends in the 3.3 microns 17.0 microns PAH band ratio as a function of PAH size and its response following the exposure to fields of varying radiation intensities., Comment: 19 pages, 12 figures

We explore how observations relate to the physical properties of the emitting galaxies by post-processing a pair of merging $z\sim2$ galaxies from the cosmological, hydrodynamical simulation NewHorizon using LCARS (Light from Cloudy Added to RAMSES) to encode the physical properties of the simulated galaxy into H$\alpha$ emission line. By carrying out mock observations and analysis on these data cubes we ascertain which physical properties of the galaxy will be recoverable with the HARMONI spectrograph on the European Extremely Large Telescope (ELT). We are able to estimate the galaxy's star formation rate and dynamical mass to a reasonable degree of accuracy, with values within a factor of $1.81$ and $1.38$ of the true value. The kinematic structure of the galaxy is also recovered in mock observations. Furthermore, we are able to recover radial profiles of the velocity dispersion and are therefore able to calculate how the dynamical ratio varies as a function of distance from the galaxy centre. Finally, we show that when calculated on galaxy scales the dynamical ratio does not always provide a reliable measure of a galaxy's stability against gravity or act as an indicator of a minor merger., Comment: 20 pages, 17 figures, Accepted for Publication in MNRAS, Comments and questions welcome

Based on theoretical spectra computed using Density Functional Theory we study the properties of Polycyclic Aromatic Hydrocarbons (PAH). In particular using bin-average spectra of PAH molecules with varying number of carbons we investigate how the intensity of the mid-infrared emission bands, 3.3, 6.2, 7.7 and 11.3 microns, respond to changes in the number of carbons, charge of the molecule, and the hardness of the radiation field that impinges the molecule. We confirm that the 6.2/7.7 band ratio is a good predictor for the size of the PAH molecule (based on the number of carbons present). We also investigate the efficacy of the 11.3/3.3 ratio to trace the size of PAH molecules and note the dependence of this ratio on the hardness of the radiation field. While the ratio can potentially also be used to trace PAH molecular size, a better understanding of the impact of the underlying radiation field on the 3.3 microns feature and the effect of the extinction on the ratio should be evaluated. The newly developed diagnostics are compared to band ratios measured in a variety of galaxies observed with the Infrared Spectrograph on board the Spitzer Space Telescope. We demonstrate that the band ratios can be used to probe the conditions of the interstellar medium in galaxies and differentiate between environments encountered in normal star forming galaxies and Active Galactic Nuclei. Our work highlights the immense potential that PAH observations with the James Webb Space Telescope will have on our understanding of the PAH emission itself and of the physical conditions in galaxies near and far., Comment: 14 pages; 12 figures. Final version accepted for publication in MNRAS, accepted 2021 March 31

We studied the circumnuclear MIR emission in a sample of 19 local active galactic nuclei (AGN) with high spatial resolution spectra using T-ReCS (Gemini) and CanariCam (GTC), together with IRS/Spitzer observations. We measured the flux and the equivalent width for the 11.3 micron PAH feature and the [SIV] line emission as a function of galactocentric distance. This allowed to study the star formation (SF) at sub-kpc scales from the nucleus for a large sample of nearby AGN. The [SIV] line emission could be tracing the AGN radiation field within a few thousand times the sublimation radius (R_sub), but it often peaks at distances greater than 1000 R_sub. One possibility is that the SF is contributing to the [SIV] total flux. We found an 11.3 micron PAH emission deficit within the inner few tens of parsecs from the AGN. This deficit might be due to the destruction of the molecules responsible for this feature or the lack of SF at these distances. We found a sensible agreement in the expected shift of the relation of the AGN bolometric luminosity and the SF rate. This indicates that numerical models attributing the link between AGN activity and host galaxy growth to mergers are in agreement with our data, for most inner galaxy parts., Comment: 16 pages in the main body of the text, 6 figures, accepted for publication in APJ

We present 31.5 micron imaging photometry of 11 nearby Seyfert galaxies observed from the Stratospheric Observatory For Infrared Astronomy (SOFIA) using the Faint Object infraRed CAmera for the SOFIA Telescope (FORCAST). We tentatively detect extended 31 micron emission for the first time in our sample. In combination with this new data set, subarcsecond resolution 1-18 micron imaging and 7.5-13 micron spectroscopic observations were used to compute the nuclear spectral energy distribution (SED) of each galaxy. We found that the turnover of the torus emission does not occur at wavelengths <31.5 micron, which we interpret as a lower-limit for the wavelength of peak emission. We used CLUMPY torus models to fit the nuclear infrared (IR) SED and infer trends in the physical parameters of the AGN torus for the galaxies in the sample. Including the 31.5 micron nuclear flux in the SED 1) reduces the number of clumpy torus models compatible with the data, and 2) modifies the model output for the outer radial extent of the torus for 10 of the 11 objects. Specifically, six (60%) objects show a decrease in radial extent while four (40%) show an increase. We find torus outer radii ranging from <1pc to 8.4 pc, Comment: 15 pages, 7 figures. Accepted for publication in MNRAS