A. G. G. M. Tielens’s research while affiliated with University of Maryland, College Park and other places

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Publications (999)


PDRs4All. XII. FUV-driven formation of hydrocarbon radicals and their relation with PAHs
  • Preprint
  • File available

March 2025

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20 Reads

J. R. Goicoechea

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M. Zannese

We present subarcsecond-resolution ALMA mosaics of the Orion Bar PDR in [CI] 609 um, C2H (4-3), and C18O (3-2) emission lines, complemented by JWST images of H2 and aromatic infrared band (AIB) emission. The rim of the Bar shows very corrugated structures made of small-scale H2 dissociation fronts (DFs). The [CI] 609 um emission peaks very close (~0.002 pc) to the main H2-emitting DFs, suggesting the presence of gas density gradients. These DFs are also bright and remarkably similar in C2H emission, which traces 'hydrocarbon radical peaks' characterized by very high C2H abundances, reaching up to several x10^-7. The high abundance of C2H and of related hydrocarbon radicals, such as CH3, CH2, and CH, can be attributed to gas-phase reactions driven by elevated temperatures, the presence of C+ and C, and the reactivity of FUV-pumped H2. The hydrocarbon radical peaks roughly coincide with maxima of the 3.4/3.3 um AIB intensity ratio, a proxy for the aliphatic-to-aromatic content of PAHs. This implies that the conditions triggering the formation of simple hydrocarbons also favor the formation (and survival) of PAHs with aliphatic side groups, potentially via the contribution of bottom-up processes in which abundant hydrocarbon radicals react in situ with PAHs. Ahead of the DFs, in the atomic PDR zone (where [H]>>[H2]), the AIB emission is brightest, but small PAHs and carbonaceous grains undergo photo-processing due to the stronger FUV field. Our detection of trace amounts of C2H in this zone may result from the photoerosion of these species. This study provides a spatially resolved view of the chemical stratification of key carbon carriers in a PDR. Overall, both bottom-up and top-down processes appear to link simple hydrocarbon molecules with PAHs in molecular clouds; however, the exact chemical pathways and their relative contributions remain to be quantified.

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Cold dark gas in Cygnus X: The first large-scale mapping of low-frequency carbon recombination lines

January 2025

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18 Reads

Understanding the transition from atomic gas to molecular gas is critical to explain the formation and evolution of molecular clouds. However, the gas phases involved, cold HI and CO-dark molecular gas, are challenging to directly observe and physically characterize. We observed the Cygnus X star-forming complex in carbon radio recombination lines (CRRLs) at 274--399 MHz with the Green Bank Telescope at 21 pc (48') resolution. Of the 30 deg^2 surveyed, we detect line-synthesized C273alpha emission from 24 deg^2 and produce the first large-area maps of low-frequency CRRLs. The morphology of the C273alpha emission reveals arcs, ridges, and extended possibly sheet-like gas which are often on the outskirts of CO emission and likely transitioning from HI-to-H_2. The typical angular separation of C273alpha and 13CO emission is 12 pc, and we estimate C273alpha gas densities of n_H ~ 40 - 400 cm^3. The C273alpha line profiles are Gaussian and likely turbulent broadened, spanning a large range of FWHM from 2 to 20 km/s with a median of 10.6 km/s. Mach numbers fall within 10--30. The turbulent timescale is relatively short, 2.6 Myr, and we deduce that the turbulent pressure likely dominates the evolution of the C273alpha gas. Velocity offsets between C273alpha and 13CO components are apparent throughout the region and have a typical value of 2.9 km/s. Two regimes have emerged from the data: one regime in which C273alpha and 13CO are strongly related (at N_H ~ 4 x 10^21 cm^-2), and a second, in which C273alpha emits independently of the 13CO intensity. In the former regime, C273alpha may arise from the the envelopes of massive clouds (filaments), and in the latter, C273alpha emits from cold clumps in a more-diffuse mix of HI and H_2 gas.


Single Aperture Large Telescope for Universe Studies: science overview

December 2024

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15 Reads

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6 Citations

Journal of Astronomical Telescopes Instruments and Systems

The Single Aperture Large Telescope for Universe Studies (SALTUS) probe mission will provide a powerful far-infrared (far-IR) pointed space observatory to explore our cosmic origins and the possibility of life elsewhere. The observatory employs an innovative deployable 14-m aperture, with a sunshield that will radiatively cool the off-axis primary to <45K. This cooled primary reflector works in tandem with cryogenic coherent and incoherent instruments that span 34- to 660-μm far-IR range at both high and moderate spectral resolutions. The mission architecture, using proven Northrop Grumman designs, provides visibility to the entire sky every 6 months with ∼35% of the sky observable at any one time. SALTUS’s spectral range is unavailable to any existing ground or current space observatory. SALTUS will have 16× the collecting area and 4× the angular resolution of Herschel and is designed for a lifetime of ≥5 years. The SALTUS science team has proposed a Guaranteed Time Observations program to demonstrate the observatory’s capabilities and, at the same time, address high-priority questions from the Decadal survey that align with NASA’s Astrophysics Roadmap. With a large aperture enabling high spatial resolution and sensitive instruments, SALTUS will offer >80% of its available observing time to Guest Observer programs, providing the science community with powerful capabilities to study the local and distant universe with observations of 1000s of diverse targets such as distant and nearby galaxies, star-forming regions, protoplanetary disks, and solar system objects.





Photofragmentation of Corannulene (C20H10) and Sumanene (C21H12) cations in gas phase and its Astrophysical implications

August 2024

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43 Reads

The aromatic infrared Bands (AIBs) dominate the mid-infrared spectra of many galactic and extragalactic sources. These AIBs are generally attributed to fluorescent emission from aromatic molecules. Unified efforts from experimentalists and theoreticians to assign these AIB features have recently gotten additional impetus with the launch of the James Webb Space Telescope (JWST) as the Mid-InfraRed Instrument (MIRI) delivers mid-IR spectrum with greatly increased sensitivity and spectral resolution. PAHs in space can exist in either neutral or ionic forms, absorb UV photons and undergo fragmentation, becoming a rich source of small hydrocarbons. This top-down mechanism of larger PAHs fragmenting into smaller species is of utmost importance in photo-dissociation regions (PDR) in space. In this work, we experimentally and theoretically investigate the photo-fragmentation pathways of two astronomically significant PAH cations - corannulene (C20H10) and sumanene (C21H12) that are structural motifs of fullerene C60, to understand their sequential fragmentation pathways. The photo-fragmentation experiments exhibit channels that are much different from planar PAHs. The breakdown of carbon skeleton is found to have different pathways for C20H10 and C21H12 because of the number and positioning of pentagon rings; yet the most abundant low mass cations produced by these two species are found to be similar. The low mass cations showcased in this work could be of interest for their astronomical detections. For completeness, the qualitative photo fragmentation behaviour of the dicationic corannulene and sumanene have also been experimented, but the potential energy surface of these dications are beyond the scope of this paper.


Laser-induced fragmentation of coronene cations

August 2024

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31 Reads

Polycyclic aromatic hydrocarbons are an important component of the interstellar medium of galaxies and photochemistry plays a key role in the evolution of these species in space. Here, we explore the photofragmentation behaviour of the coronene cation (C24H12+) using time of flight mass spectrometry. The experiments show photodissociation fragmentation channels including the formation of bare carbon clusters (Cn+) and hydrocarbon chains (CnHx+). The mass spectrum of coronene is dominated by peaks from C11+ and C7H+. Density functional theory was used to calculate relative energies, potential dissociation pathways, and possible structures for relevant species. We identify 6-6 to 5-7 ring isomerisation as a key step in the formation of both the bare carbon clusters and the hydrocarbon chains observed in this study. We present the dissociation mechanism outlined here as a potential formation route for C60 and other astrochemically relevant species.


Fig. B.2. Selected JWST/NIRSpec spectra toward d203-506. The red spectrum corresponds to the ON source measurement, which includes emission from the background H ii region and the Bar PDR. The intrinsic spectrum of d203-506 is the ON -f · OFF measurement (with f = 0.95 in blue and f = 1 in cyan). The scaling factor, f, is determined from the nebular He i recombination lines (see the main text). These spectra show NIR carbon lines (permitted and forbidden), [Fe ii], and vibrationally excited H 2 and OH lines (Zannese et al. 2024), among other species (see Berné et al. 2024). However, NIR O i fluorescent lines are not detected in the ON-OFF spectrum. These FUV-pumped O i fluorescent lines appear in the ON spectrum and arise from predominantly atomic gas close behind the ionization front of the Bar (the ∆ feature; Haworth et al. 2023; Peeters et al. 2024).
Fig. E.1. Reduced Gotrian diagram of C 0 showing up to the electronic levels associated with the NIR lines discussed in this study. The figure also includes the main FUV-pumping lines (in blue) of the detected NIR C 0 lines, as well as the submm fine-structure lines within the ground state detectable with ALMA (in green; energy level splitting is exaggerated).
Fig. G.1. Grid of constant-density PDR models for varying external FUV radiation fields but fixed n H = 10 7 cm −3 and x C = 1.4 × 10 −4 values. The red markers show the predicted column density of C 0 . The blue markers show the predicted [C i] 609 µm line intensity, integrating from A V = 0 to 10 mag into the wind and disk system. The horizontal lines mark the observed line intensity (± σ) in d203-506.
Fig. G.2. Grid of constant-density PDR models for varying external FUV radiation fields but fixed n H = 10 7 cm −3 and x C = 1.4 × 10 −4 . Colored curves show the predicted line intensities of the neutral carbon lines discussed in the text relative to the line intensity reference model (G 0 = 2 × 10 4 ). While the NIR carbon line intensities increase with G 0 , the [C i] 609 µm line intensity is much less dependent on G 0 .
Fig. H.1. Shift in the H 2 O and CO freeze-out depth (simulating the outer disk) with increasing external FUV radiation field. This analytical model assumes n H = 10 7 cm −3 , as in d203-506. The vertical lines show the G 0 values compatible with the observed NIR carbon line intensities.

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PDRs4All. X. ALMA and JWST detection of neutral carbon in the externally irradiated disk d203-506: Undepleted gas-phase carbon

August 2024

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59 Reads

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6 Citations

Astronomy and Astrophysics

The gas-phase abundance of carbon, xCC/HgasC+C0COx_ C C/H gas C^+ C^0 CO \,+\,...\,, and its depletion factors are essential parameters for understanding the gas and solid compositions that are ultimately incorporated into (exo)planets. The majority of protoplanetary disks are born in clusters and, as a result, are exposed to external far-ultraviolet (FUV) radiation. These FUV photons potentially affect the disk's evolution, chemical composition, and line excitation. We present the first detection of the CI \,609\,mu m fine-structure ( 3^3P1_1--3^3P0_0 ) line of neutral carbon (C0^0), achieved with ALMA, toward one of these disks d203-506 in the Orion Nebula Cluster. We also report the detection of CI forbidden and permitted lines (from electronically excited states up to sim \,10 eV) observed with JWST in the near-infrared (NIR). These lines trace the irradiated outer disk and photo-evaporative wind Contrary to the common belief that these NIR lines are C+^+ recombination lines, we find that they are dominated by FUV-pumping of C0^0 followed by fluorescence cascades. They trace the transition from atomic to molecular gas and their intensities scale with G0G_0. The lack of outstanding NIR fluorescent emission, however, implies a sharper attenuation of external FUV radiation with E\,gtrsim \,12\,eV (lambda \,lesssim \,Lyman-beta ). This is related to a lower effective FUV dust absorption cross section compared to that of interstellar grains, implying a more prominent role for FUV shielding by the C0^0 photoionization continuum. The CI \,609\,mu m line intensity is proportional to N(C0^0) and can be used to infer C .Wederive. We derive x_ C simeq1.4times.Thisimpliesthatthereisnomajordepletionofvolatilecarboncomparedto\,simeq \,1.4\,times . This implies that there is no major depletion of volatile carbon compared to x_ C $ measured in the natal cloud, hinting at a young disk. We also show that external FUV radiation impacts the outer disk and wind by vertically shifting the water freeze-out depth, which likely results in less efficient grain growth and settling. This shift leads to nearly solar gas-phase C/O abundance ratios in these irradiated layers.


Citations (53)


... NbN HEBs have been flown, for example, on HIFI-Herschel [1], SOFIA [2], STO2 [3], GUSTO [4], and ASTHROS (to be flown) [5]. They are also the choice for far-infrared spectroscopic surveyor (or line emission terahertz observatory (LETO)) [6], Orbiting Astronomical Satellite for Investigating Stellar System (OASIS) [7], and Single Aperture Large Telescope for Universe Studies (SALTUS) [8] space missions, proposed to the European Space Agency or National Aeronautics and Space Administration (NASA). Notably, due to the limited lifetime of a space mission, a low mixer noise temperature (T DSB mixer ) is highly desirable to optimize observation time as the integration time of the heterodyne instruments is proportional to the square of the receiver noise temperature [(T DSB rec ), which is the sensitivity of a mixer including the contribution from all the optical components] [9]. ...

Reference:

Reduced Noise Temperatures of a THz NbN Hot Electron Bolometer Mixer
Single Aperture Large Telescope for Universe Studies: science overview
  • Citing Article
  • December 2024

Journal of Astronomical Telescopes Instruments and Systems

... Even for massive, large disks, which are also the coldest, nearly 50% of the disk by mass is warm enough for HD to emit. 20 The H 2 ∕HD ratio in the local ISM is well constrained observationally. 21 The only isotope selective process that can substantially change this ratio in a protoplanetary disk is the continued dissociation of HD after H 2 has self-shielded, which can be corrected analytically for a known radiation field. ...

Star and planet formation with the Single Aperture Large Telescope for Universe Studies space observatory
  • Citing Article
  • November 2024

Journal of Astronomical Telescopes Instruments and Systems

... SALTUS will address this by measuring and comparing the HDO∕H 2 O ratio in a large sample of cometary reservoirs and planetary bodies (Fig. 10). This and other planned GTO science investigations are expanded by Schwarz et al. 20 and Anderson et al. 49 ...

Solar system science with the Single Aperture Large Telescope for Universe Studies space observatory
  • Citing Article
  • September 2024

Journal of Astronomical Telescopes Instruments and Systems

... Yet, a search with APEX towards the NGC 1977 proplyds resulted in non detections only (either due to low disk masses, carbon depletion or beam dilution, Haworth et al. 2022). There have been a handful of detections of atomic carbon towards disks in low UV environments (of order 1 − 10G 0 Kama et al. 2016), and there is now a single detection towards the 203-506 FUV irradiated disk near the Orion Bar (Goicoechea et al. 2024). In the NIR, VLT/MUSE recently revealed that the forbidden line at [CI] 8727Å is an excellent tracer of the irradiated disk surface (Haworth et al. 2023a;Aru et al. 2024b). ...

PDRs4All. X. ALMA and JWST detection of neutral carbon in the externally irradiated disk d203-506: Undepleted gas-phase carbon

Astronomy and Astrophysics

... Forsterite belongs to planetary and terrestrial rock-forming minerals (Liu et al., 2022;Vá ci et al., 2020) and is known for its capability of catalyzing reactions in interstellar dust (Campisi et al., 2024). Forsterite is the magnesium endmember of the olivine solid solution (Mg 1À x Fe x ) 2 SiO 4 (Jundullah Hanafi et al., 2024;Rö sler, 1991) and crystallizes in the orthorhombic space group Pbnm (Fujino et al., 1981;Mü ller-Sommer et al., 1997;Lager et al., 1981). ...

The role of point defect reconstructions and Polycyclic Aromatic Hydrocarbons (PAHs) in silicate dust preservation
  • Citing Article
  • August 2024

Monthly Notices of the Royal Astronomical Society

... Omont & Bettinger 2021) and eventual destruction (e.g. Hrodmarsson et al. 2023Hrodmarsson et al. , 2022Sundararajan et al. 2024;Panchagnula et al. 2024). ...

Photofragmentation of Corannulene (C 20 H 10 ) and Sumanene (C 21 H 12 ) cations in gas phase and its astrophysical implications
  • Citing Article
  • July 2024

Physical Chemistry Chemical Physics

... Chain formation as adducts of large interstellar PAHs appears possible (see e.g. Zanolli et al. 2023; see also chain and ring formation in laser processing of PAHs, Panchagnula et al. 2024), since they are among the most stable [nC-PAH] complexes and they could easily form without high barrier from Croaming on the PAH surface eased by photon absorption. Their length could be mostly limited either by ring formation from the attachment of their end to the PAH, or by fast destruction. ...

Laser-induced fragmentation of coronene cations
  • Citing Article
  • June 2024

Physical Chemistry Chemical Physics

... In the second phase, the eliminated terms are reintroduced via a variational approach. This method is acknowledged for yielding highly precise outcomes (Martin et al. 1995;Barone et al. 2014;Mackie et al. 2015Mackie et al. , 2016Chen 2018;Lemmens et al. 2021;Yang et al. 2021;Franke et al. 2021;Esposito et al. 2024). For example, the majority of the anharmonic wavenumbers computed with GVPT2 for pyrrole (C 4 H 5 N), a molecule similar to 3-pyrroline (C 4 H 7 N), align with experiment within 5 cm −1 (Barone et al. 2014). ...

The infrared absorption spectrum of phenylacetylene and its deuterated isotopologue in the mid- to far-IR

... JWST observations of the Orion Bar were collected as part of the JWST Early Release Science Program PDRs4All (ID 1288 2 ; Berné et al. 2022). We use the template spectrum of key physical regions of the Orion Bar PDR: the atomic PDR and the bright H i/H 2 dissociation fronts (DF2 and DF3) corresponding to molecular hydrogen (H 2 ) filaments Peeters et al. 2024;Chown et al. 2024;Van De Putte et al. 2024) for comparison. For a description of the data reduction and spectral extraction, we refer the reader to Peeters et al. (2024), Chown et al. (2024), and Van De Putte et al. (2024). ...

PDRs4All. III. JWST's NIR spectroscopic view of the Orion Bar

Astronomy and Astrophysics

... 5 http://astrochemistry.oa-cagliari.inaf.it/database/pahs.html 2024; Pasquini et al. 2024). However, as we have shown above, the profiles of the PAH emission in 30 Dor are more like DF2 than like the atomic PDR in the Orion Bar. ...

PDRs4All. VI. Probing the photochemical evolution of PAHs in the Orion Bar using machine learning techniques

Astronomy and Astrophysics