Nitrogen-substituted polycyclic aromatic hydrocarbons (NPAHs) have been proposed to play a key role in the astrochemical evolution of the interstellar medium, but the formation mechanism of even their simplest building block - the aromatic pyridine molecule - has remained elusive for decades. Here we reveal a potential pathway to a facile pyridine (C5H5N) synthesis via the reaction of the cyano vinyl (C2H2CN) radical with vinyl cyanide (C2H3CN) in high temperature environments simulating conditions in carbon-rich circumstellar envelopes of Asymptotic Giant Branch (AGB) stars like IRC+10216. Since this reaction is barrier-less, pyridine can also be synthesized via this bimolecular reaction in cold molecular clouds such as in TMC-1. The synchronized aromatization of precursors readily available in the interstellar medium leading to nitrogen incorporation into the aromatic rings would open up a novel route to pyridine derivatives such as vitamin B3 and pyrimidine bases as detected in carbonaceous chondrites like Murchison.
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http://dx.doi.org/10.1039/c5cp02960k | DOI Listing |
J Phys Chem A
January 2025
Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
The cyano-cyclopentadiene molecule (CN-CH) has attracted significant interest since its detection in the interstellar medium, but the radical (CN-CH) and anionic (CN-CH) forms of cyano-cyclopentadiene have not been studied. The cyano-cyclopentadienyl radical (CN-Cp) has a strong dipole moment, rendering it an ideal system for vibrational and rotational spectroscopy. We report an investigation of the cryogenically cooled cyano-cyclopentadienide anion (CN-Cp) using high-resolution photoelectron imaging, photodetachment spectroscopy, and resonant photoelectron imaging.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Chemistry and Forensic Science, School of Natural Sciences, University of Kent, Canterbury, UK.
Magnesium-containing molecules, including MgCH, MgCH, and MgCH, have been detected in the interstellar medium, largely facilitated by their high dipole moments. However, despite great efforts, MgCH species remain elusive. Given the challenges in obtaining experimental data for these molecules, theoretical studies play a crucial role in guiding their detection.
View Article and Find Full Text PDFChem Sci
January 2025
Instituto de Química, Universidad de Antioquia Calle 70 No. 52-21 Medellín 050010 Colombia
We present a computational investigation into the fragmentation pathways of ethanolamine (CHNO, EtA), propanol (CHO, PrO), butanenitrile (CHN, BuN), and glycolamide (CHNO, GlA)-saturated organic molecules detected in the interstellar medium (ISM), particularly in the molecular cloud complex Sagittarius B2 (Sgr B2) and its molecular cloud G+0.693-0.027.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Astrophysik/I. Physikalisches Institut, Universität zu Köln, Köln 50937, Germany.
The methoxy radical, CHO, has long been studied experimentally and theoretically by spectroscopists because it displays a weak Jahn-Teller effect in its electronic ground state, combined with a strong spin-orbit interaction. In this work, we report an extension of the measurement of the pure rotational spectrum of the radical in its vibrational ground state in the submillimeter-wave region (350-860 GHz). CHO was produced by H-abstraction from methanol using F atoms, and its spectrum was probed in absorption using an association of source-frequency modulation and Zeeman modulation spectroscopy.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)─UMR 6251, F-35000 Rennes, France.
Chloronium (HCl) is an important intermediate of Cl-chemistry in space. The accurate knowledge of its collisional properties allows a better interpretation of the corresponding observations in interstellar clouds and, therefore, a better estimation of its abundance in these environments. While the ro-vibrational spectroscopy of HCl is well-known, the studies of its collisional excitation are rather limited and these are available for the interaction with helium atoms only.
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