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1. Chemical models of interstellar cyanomethanimine isomers

   https://doi.org/10.1093/mnras/staa1979  

   Zhang, Xia; Quan, Donghui; Chang, Qiang; Herbst, Eric; Esimbek, Jarken; Webb, Matthew (September 2020, Monthly Notices of the Royal Astronomical Society)

   null (Ed.)

   ABSTRACT The E-isomer of cyanomethanimine (HNCHCN) was first identified in Sagittarius B2(N) (Sgr B2(N)) by a comparison of the publicly available Green Bank Telescope (GBT) PRIMOS survey with laboratory rotational spectra. Recently, Z-cyanomethanimine was detected in the quiescent molecular cloud G+0.693−0.027 with the IRAM 30-m telescope. Cyanomethanimine is a chemical intermediate in the proposed synthetic routes of adenine, and may play an important role in forming biological molecules in the interstellar medium. Here we present a new modelling study of cyanomethanimine, using the nautilus gas–grain reaction network and code with the addition of over 400 chemical reactions of the three cyanomethanimine isomers and related species. We apply cold isothermal core, hot core, and C-type shock models to simulate the complicated and heterogeneous physical environment in and in front of Sgr B2(N), and in G+0.693−0.027. We identify the major formation and destruction routes of cyanomethanimine, and find that the calculated abundances of the cyanomethanimine isomers and the ratio of Z-isomer to E-isomer are both in reasonable agreement with observations for selected environments. In particular, we conclude that these isomers are most likely formed within or near the hot core without the impact of shocks, or in the cold regions with shocks. 

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2. Toward the limits of complexity of interstellar chemistry: Rotational spectroscopy and astronomical search for n - and i -butanal

   https://doi.org/10.1051/0004-6361/202142848  

   Sanz-Novo, M.; Belloche, A.; Rivilla, V. M.; Garrod, R. T.; Alonso, J. L.; Redondo, P.; Barrientos, C.; Kolesniková, L.; Valle, J. C.; Rodríguez-Almeida, L.; et al (October 2022, Astronomy & Astrophysics)

   Context.In recent times, large organic molecules of exceptional complexity have been found in diverse regions of the interstellar medium. Aims.In this context, we aim to provide accurate frequencies of the ground vibrational state of two key aliphatic aldehydes,n-butanal and its branched-chain isomer, i-butanal, to enable their eventual detection in the interstellar medium. We also want to test the level of complexity that interstellar chemistry can reach in regions of star formation. Methods.We employ a frequency modulation millimeter-wave absorption spectrometer to measure the rotational features ofn- andi-butanal. We analyze the assigned rotational transitions of each rotamer separately using theA-reduced semirigid-rotor Hamiltonian. We use the spectral line survey ReMoCA performed with the Atacama Large Millimeter/submillimeter Array to search forn- andi-butanal toward the star-forming region Sgr B2(N). We also search for both aldehydes toward the molecular cloud G+0.693−0.027 with IRAM 30 m and Yebes 40 m observations. The observational results are compared with computational results from a recent gas-grain astrochemical model. Results.Several thousand rotational transitions belonging to the lowest-energy conformers of two distinct linear and branched isomers have been assigned in the laboratory spectra up to 325 GHz. A precise set of the relevant rotational spectroscopic constants has been determined for each structure as a first step toward identifying both molecules in the interstellar medium. We report non-detections ofn-and i-butanal toward both sources, Sgr B2(N1S) and G+0.693-0.027. We find thatn- andi-butanal are at least 2-6 and 6-18 times less abundant than acetaldehyde toward Sgr B2(N1S), respectively, and thatn-butanal is at least 63 times less abundant than acetaldehyde toward G+0.693−0.027. While propanal is not detected toward Sgr B2(N1S) either, with an abundance at least 5–11 lower than that of acetaldehyde, propanal is found to be 7 times less abundant than acetaldehyde in G+0.693−0.027. Comparison with astrochemical models indicates good agreement between observed and simulated abundances (where available). Grain-surface chemistry appears sufficient to reproduce aldehyde ratios in G+0.693−0.027; gas-phase production may play a more active role in Sgr B2(N1S). Model estimates for the larger aldehydes indicate that the observed upper limits may be close to the underlying values. Conclusions.Our astronomical results indicate that the family of interstellar aldehydes in the Galactic center region is characterized by a drop of one order of magnitude in abundance at each incrementation in the level of molecular complexity. 

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3. H ₃ ⁺ absorption and emission in local (U)LIRGs with JWST/NIRSpec: Evidence for high H ₂ ionization rates

   https://doi.org/10.1051/0004-6361/202451741  

   Pereira-Santaella, Miguel; González-Alfonso, Eduardo; García-Bernete, Ismael; Donnan, Fergus R; Santa-Maria, Miriam G; Goicoechea, Javier R; Lamperti, Isabella; Perna, Michele; Rigopoulou, Dimitra (September 2024, Astronomy & Astrophysics)

   We study the 3.4 − 4.4 μm 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. TheP,Q, andRbranches 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; we detect this emission in three regions. In the remaining ten regions, the band is seen in absorption. The absorptions are produced toward the 3.4 − 4.4 μm 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 active galactic nuclei might limit the abundance of this molecule. For the detections, the H₃⁺abundances,N(H₃⁺)/N_H = (0.5 − 5.5)×10⁻⁷, imply relatively high ionization rates,ζ_H2, of between 3 × 10⁻¹⁶and > 4 × 10⁻¹⁵s⁻¹, which are likely associated with high-energy cosmic rays. In half of the targets, the absorptions are blueshifted by 50–180 km s⁻¹, which is lower than the molecular outflow velocities measured using other tracers such as OH 119 μm 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 seven out of ten objects, the H₃⁺excitation is consistent with inelastic collisions with H₂in warm translucent molecular clouds (T_kin ∼ 250–500 K andn(H₂) ∼10^2 − 3cm⁻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. 

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4. Ultraviolet Excitation of M-O ₂ (M = Phenalenone, Fluorenone, Pyridine, & Acridine) Complexes Resulting in ¹ O ₂

   https://doi.org/10.1021/acs.jpca.4c00143  

   Parsons, Bradley F.; Hulce, Martin R.; Ackerman, John R.; Reardon, Kylie A.; Pappas, Emerson S.; Kettler, Lauren E. (April 2024, The Journal of Physical Chemistry A)

   In our experiment, a trace amount of an organic molecule (M = 1H-phenalen-1-one, 9-fluorenone, pyridine, or acridine) was seeded into a gas mix consisting of 3% O₂ with a rare gas buffer (He or Ar) and then supersonically expanded. We excited the resulting molecular beam with ultraviolet light at either 355 nm (1H-phenalen-1-one, 9-fluorenone, or acridine) or 266 nm (pyridine) and used resonance enhanced multiphoton ionization (REMPI) spectroscopy to probe for formation of O₂ in the a ¹Δ_g state, ¹O₂. For all systems, the REMPI spectra demonstrates that ultraviolet excitation results in formation of ¹O₂ and the oxygen product is confirmed to be in the ground vibrational state and with an effective rotational temperature below 80 K. We then recorded the velocity map ion image of the ¹O₂ product. From the ion images we determined the center-of-mass translational energy distribution, P(E_T), assuming photodissociation of a bimolecular M-O₂ complex. We also report results from electronic structure calculations that allow for a determination of the M-O₂ ground state binding energy. We use the complex binding energy, the energy to form ¹O₂, and the adiabatic triplet energy for each organic molecule to determine the available energy following photodissociation. For dissociation of a bimolecular complex, this available energy may be partitioned into either center-of-mass recoil or internal degrees of freedom of the organic moiety. We use the available energy to generate a Prior distribution, which predicts statistical energy partitioning during dissociation. For low available energies, less than 0.2 eV, we find the statistical prediction is in reasonable agreement with the experimental observations. However, at higher available energies the experimental distribution is biased to lower center-of-mass kinetic energies compared with the statistical prediction, which suggests the complex undergoes vibrational predissociation. 

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5. Elusive Iron: Detection of the FeC Radical (X ³ Δ _i ) in the Envelope of IRC+10216

   https://doi.org/10.3847/2041-8213/ad0899  

   Koelemay, L. A.; Ziurys, L. M. (November 2023, The Astrophysical Journal Letters)

   Abstract A new interstellar molecule, FeC (X³Δ_i), has been identified in the circumstellar envelope of the carbon-rich asymptotic giant branch star IRC+10216. FeC is the second iron-bearing species conclusively observed in the interstellar medium, in addition to FeCN, also found in IRC+10216. TheJ= 4 → 3, 5 → 4, and 6 → 5 rotational transitions of this free radical near 160, 201, and 241 GHz, respectively, were detected in the lowest spin–orbit ladder, Ω = 3, using the Submillimeter Telescope of the Arizona Radio Observatory (ARO) for the 1 mm lines and the ARO 12 m at 2 mm. Because the ground state of FeC is inverted, these transitions are the lowest energy lines. The detected features exhibit slight U shapes with LSR velocities nearV_LSR≈ −26 km s⁻¹and linewidths of ΔV_1/2≈ 30 km s⁻¹, line parameters characteristic of IRC+10216. Radiative transfer modeling of FeC suggests that the molecule has a shell distribution with peak radius near 300R_*(∼6″) extending out to ∼500R_*(∼10″) and a fractional abundance, relative to H₂, off∼ 6 × 10⁻¹¹. The previous FeCN spectra were also modeled, yielding an abundance off∼ 8 × 10⁻¹¹in a larger shell situated near 800R_*. These distributions suggest that FeC may be the precursor species for FeCN. Unlike cyanides and carbon-chain molecules, diatomic carbides with a metallic element are rare in IRC+10216, with FeC being the first such detection. 

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