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Article Abstract

Benzonitrile (CHCN) has emerged as a key astrochemical molecule, yet the vibrational spectra of its ionic forms remain incomplete. In this work, we present the first IR absorption spectra of mass-selected CHCN and CHCN isolated in solid neon at 3 K. Distinct vibrational features of both ions were identified through their differential response to IR and UV photolysis and comparison with theoretical predictions of vibrational frequencies and intensities. These results provide valuable spectroscopic benchmarks for the identification of benzonitrile ions in space and highlight the effectiveness of matrix-isolation techniques for resolving the vibrational structures of transient molecular ions relevant to astrochemistry.

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http://dx.doi.org/10.1021/acs.jpclett.5c00918DOI Listing

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Benzonitrile (CHCN) has emerged as a key astrochemical molecule, yet the vibrational spectra of its ionic forms remain incomplete. In this work, we present the first IR absorption spectra of mass-selected CHCN and CHCN isolated in solid neon at 3 K. Distinct vibrational features of both ions were identified through their differential response to IR and UV photolysis and comparison with theoretical predictions of vibrational frequencies and intensities.

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Benzonitrile molecules are present in ionizing environments including interstellar clouds and solar nebulae, where their ions can form adducts with neutral molecules such as acrylonitrile leading to the formation of a variety of nitrogen-containing complex organics. Herein, we report on the formation of complex organics by the sequential reactions of 1-4 acrylonitrile (CNH) molecules with the benzonitrile radical cation (CNH˙). The results reveal the formation of the covalently bonded -acrylonitrile-benzonitrile radical cation (CNH˙) with a rate coefficient of 2.

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Article Synopsis
  • Benzonitrile radical cations can interact with molecules like acetylene in cosmic environments, leading to the creation of complex nitrogen-based organic compounds.
  • Experimental results show that acetylene reacts with benzonitrile radical cations to form two main covalent adduct ions, with specific reaction rates measured at a certain temperature.
  • The study highlights a mechanism where a benzonitrile cation transforms into a structure allowing for cyclization, resulting in a bicyclic compound that could help to explain the presence of nitrogen-rich organics in various space regions.
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