Nature Astronomy · 2024 · 92 citations · 81 references
Natural SciencesAstronomyChemistryAtmospheric ChemistryInterstellar MediumOrganic ChemistryInterstellar ChemistryInterstellar GasInterstellar MoleculesMolecular CloudsMolecular Formation PathwaysAromatic HydrocarbonsHydrogen-rich AtmospheresInterstellar HydrocarbonsInterstellar Medium ChemistryKinetic ControlMolecular Cloud ObservationsMolecular Formation In Interstellar CloudsPolycyclic Aromatic Hydrocarbons
Polycyclic aromatic hydrocarbons (PAHs) are among the most widespread compounds in the universe, accounting for up to ~25% of all interstellar carbon. Since most unsubstituted PAHs do not possess permanent electric dipole moments, they are invisible to radio astronomy. Constraining their abundances relies on the detection of polar chemical proxies, such as aromatic nitriles. Here we report the detection of 2-cyanopyrene and 4-cyanopyrene, isomers of the recently detected 1-cyanopyrene. We find that these isomers are present in an abundance ratio of ~2:1:2, which mirrors the number of equivalent sites available for CN addition. We conclude that there is evidence that the cyanopyrene isomers formed by direct CN addition to pyrene under kinetic control in hydrogen-rich gas at 10 K and discuss constraints on the H/CN ratio for PAHs in the Taurus molecular cloud (TMC-1). Our detections of the cyanopyrene isomers suggest that small PAHs like pyrene must be either formed in or transported to the cold interstellar medium, challenging assumptions about the origin and fate of PAHs in space. Wenzel et al. detect radio signatures of two forms of cyanopyrene, a small molecular sheet of carbon, which can be used as indicators of the abundance of pyrene. Their findings suggest that small polycyclic aromatic hydrocarbons must be formed in or transported to the cold interstellar medium.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17