A Catalytic Pathway for the Formation of Cyanobenzene in Nitrogen-Rich Environments and the Spectroscopy of the Reactive Intermediates

Authors

Vincent J. Esposito, Chapman UniversityFollow
Silvia Alessandrini, Università di Bologna
David Dubois, NASA Ames Research Center
Ryan Fortenberry, University of Mississippi

Document Type

Article

Publication Date

5-20-2025

Abstract

The catalytic reaction of isocyanobenzene (C₆H₅NC) with NCN⁻ produces cyanobenzene (C₆H₅NC) through various highly stable reactive intermediate species. Nitrogen-rich environments such as Titan’s atmosphere serve as favorable locations to study reaction pathways involving nitrogenated species contributing to organic growth. Formation pathways of cyanobenzene have been characterized, but none with the contribution of anions or phenyl groups. In regions with a high abundance of nitrogen anions, such as Titan’s atmosphere, reactions with species such as NCN⁻ may play a role in the formation of cyanobenzene. Highly accurate computational methods are used to compute the rotational and vibrational spectroscopic properties of five thermodynamically stable reactive intermediate anions. Further, immense permanent dipole moments (∼10 D) make these five intermediates, and INT1 (phenyl–NCNCN⁻) in particular, highly detectable with radio astronomy, and searches with facilities such as the Atacama Large Millimeter/submillimeter Array and the Green Bank Telescope may lead to their discovery. Four of the reactive intermediates possess intense CN stretching transitions in the 2100–2200 cm⁻¹ region that may produce a uniquely identifiable signal in high spatial and spectral resolution JWST spectra. Based on these reaction pathways, a future nondetection of isocyanobenzene in the atmosphere of Titan may point to cyanobenzene as a possible reservoir for this isomeric family of molecules.

Comments

This article was originally published in Planetary Science Journal, volume 6, issue 5, in 2025. https://doi.org/10.3847/PSJ/adcf17

Recommended Citation

Esposito V. J., Alessandrini S., Dubois D., Fortenberry R.C. “A Catalytic Pathway for the Formation of Cyanobenzene in Nitrogen-Rich Environments and the Spectroscopy of the Reactive Intermediates.” Planet. Sci. J. 6, 5 (2025). https://doi.org/10.3847/PSJ/adcf17

Copyright

The authors

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This work is licensed under a Creative Commons Attribution 4.0 License.