Unidentified infrared emission bands are ubiquitous in many astronomical sources. These bands are widely, if not unanimously, attributed to collective emissions from polycyclic aromatic hydrocarbon (PAH) molecules, yet no single species of this class has been identified in space. Using spectral matched filtering of radio data from the Green Bank Telescope, we detected two nitrile-group–functionalized PAHs, 1- and 2-cyanonaphthalene, in the interstellar medium. Both bicyclic ring molecules were observed in the TMC-1 molecular cloud. In this paper, we discuss potential in situ gas-phase PAH formation pathways from smaller organic precursor molecules.

A new, more comprehensive model of gas–grain chemistry in hot molecular cores is presented, in which nondiffusive reaction processes on dust-grain surfaces and in ice mantles are implemented alongside traditional diffusive surface/bulk-ice chemistry. We build on our nondiffusive treatments used for chemistry in cold sources, adopting a standard collapse/warm-up physical model for hot cores. A number of other new chemical model inputs and treatments are also explored in depth, culminating in a final model that demonstrates excellent agreement with gas-phase observational abundances for many molecules, including some (e.g., methoxymethanol) that could not be reproduced by conventional diffusive mechanisms. The observed ratios of structural isomers methyl formate, glycolaldehyde, and acetic acid are well reproduced by the models. The main temperature regimes in which various complex organic molecules (COMs) are formed are identified. Nondiffusive chemistry advances the production of many COMs to much earlier times and lower temperatures than in previous model implementations. Those species may form either as by-products of simple-ice production, or via early photochemistry within the ices while external UV photons can still penetrate. Cosmic ray-induced photochemistry is less important than in past models, although it affects some species strongly over long timescales. Another production regime occurs during the high-temperature desorption of solid water, whereby radicals trapped in the ice are released onto the grain/ice surface, where they rapidly react. Several recently proposed gas-phase COM-production mechanisms are also introduced, but they rarely dominate. New surface/ice reactions involving CH and CH2 are found to contribute substantially to the formation of certain COMs.

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We present an overview of the GBT Observations of TMC-1: Hunting Aromatic Molecules Large Program on the Green Bank Telescope. This and a related program were launched to explore the depth and breadth of aromatic chemistry in the interstellar medium at the earliest stages of star formation, following our earlier detection of benzonitrile (c-C6H5CN) in TMC-1. In this work, details of the observations, use of archival data, and data reduction strategies are provided. Using these observations, the interstellar detection of propargyl cyanide (HCCCH2CN) is described, as well as the accompanying laboratory spectroscopy. We discuss these results, and the survey project as a whole, in the context of investigating a previously unexplored reservoir of complex, gas-phase molecules in pre-stellar sources. A series of companion papers describe other new astronomical detections and analyses.

Context. As the number of complex organic molecules (COMs) detected in the interstellar medium increases, it becomes ever more important to place meaningful constraints on the origins and formation pathways of such chemical species. The molecular cloud Sagittarius B2(N) is host to several hot molecular cores in the early stage of star formation, where a great variety of COMs are detected in the gas phase. Because of its exposure to the extreme conditions of the the Galactic center (GC) region, Sgr B2(N) is one of the best targets to study the impact of environmental conditions on the production of COMs. Aims. Our main goal is to characterize the physico-chemical evolution of Sgr B2(N)'s sources in order to explain their chemical differences and constrain their environmental conditions. Methods. The chemical composition of Sgr B2(N)'s hot cores, N2, N3, N4, and N5 is derived by modeling their 3 mm emission spectra extracted from the EMoCA imaging spectral line survey performed with the Atacama Large Millimeter/submillimeter Array (ALMA). We derive the density distribution in the envelope of the sources based on the masses computed from the ALMA dust continuum emission maps. We use the radiative transfer code RADMC-3D to compute temperature profiles and infer the current luminosity of the sources based on the COM rotational temperatures derived from population diagrams. We use published results of 3D radiation-magnetohydrodynamical (RMHD) simulations of high-mass star formation to estimate the time evolution of the sources properties. We employ the astrochemical code MAGICKAL to compute time-dependent chemical abundances in the sources and investigate how physical properties and environmental conditions influence the production of COMs.Results. The analysis of the abundances of 11 COMs detected toward Sgr B2(N2-N5) reveals that N3 and N5 share a similar chemical composition while N2 differs significantly from the other sources. We estimate the current luminosities of N2, N3, N4, and N5 to be 2.6×10 5 L , 4.5×10 4 L , 3.9×10 5 L , and 2.8×10 5 L , respectively. We find that astrochemical models with a cosmic-ray ionization rate of 7×10 −16 s −1 best reproduce the abundances with respect to methanol of ten COMs observed toward Sgr B2(N2-N5). We also show that COMs still form efficiently on dust grains with minimum dust temperatures in the prestellar phase as high as 15 K, but that minimum temperatures higher than 25 K are excluded. Conclusions. The chemical evolution of Sgr B2(N2-N5) strongly depends on their physical history. A more realistic description of the hot cores' physical evolution requires a more rigorous treatment with RMHD simulations tailored to each hot core.

We report the detection of interstellar methoxymethanol (CH 3 OCH 2 OH) in ALMA Bands 6 and 7 toward the MM1 core in the high-mass star-forming region NGC 6334I at ∼0.1 -1 spatial resolution. A column density of 4(2)×1018 cm −2at T ex = 200 K is derived toward MM1, ∼34 times less abundant than methanol (CH 3 OH), and significantly higher than predicted by astrochemical models. Probable formation and destruction pathways are discussed, primarily through the reaction of the CH 3 OH photodissociation products, the methoxy (CH 3 O) and hydroxymethyl (CH 2 OH) radicals. Finally, we comment on the implications of these mechanisms on gas-phase vs grain-surface routes operative in the region, and the possibility of electron-induced dissociation of CH 3 OH rather than photodissociation.

Searches for the prebiotically-relevant cyanamide (NH 2 CN) towards solar-type protostars have not been reported in the literature. We here present the first detection of this species in the warm gas surrounding two solar-type protostars, using data from the Atacama Large Millimeter/Submillimeter Array Protostellar Interferometric Line Survey (PILS) of IRAS 16293-2422 B and observations from the IRAM Plateau de Bure Interferometer of NGC1333 IRAS2A. We furthermore detect the deuterated and 13 C isotopologues of NH 2 CN towards IRAS 16293-2422 B. This is the first detection of NHDCN in the interstellar medium. Based on a local thermodynamic equilibrium analysis, we find that the deuteration of cyanamide (∼ 1.7%) is similar to that of formamide (NH 2 CHO), which may suggest that these two molecules share NH 2 as a common precursor. The NH 2 CN/NH 2 CHO abundance ratio is about 0.2 for IRAS 16293-2422 B and 0.02 for IRAS2A, which is comparable to the range of values found for Sgr B2. We explored the possible formation of NH 2 CN on grains through the NH 2 + CN reaction using the chemical model MAGICKAL. Grain-surface chemistry appears capable of reproducing the gas-phase abundance of NH 2 CN with the correct choice of physical parameters.

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