Recurrent fluorescence of polycyclic aromatic hydrocarbon isomers: A comparative study

Subramani, Arun, Bull, James N., Cederquist, Henrik, Martini, Paul, Schmidt, Henning T., Zettergren, Henning and Stockett, Mark H. (2025) Recurrent fluorescence of polycyclic aromatic hydrocarbon isomers: A comparative study. ACS Earth and Space Chemistry. ISSN 2472-3452

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Abstract

Time-dependent unimolecular dissociation rates of the C12H8 isomers acenaphthylene (ACY) and biphenylene (BPY) cations were measured using a cryogenic electrostatic ion beam storage ring. The neutral, cyano-functionalized tracers of ACY, but not of BPY, have been identified in the interstellar molecular cloud TMC-1 by radioastronomy. For both polycyclic aromatic hydrocarbons (PAHs), dissociation is rapidly quenched by recurrent fluorescence (RF). Master equation simulations including RF rate coefficients based on ab initio molecular dynamics calculations reproduce the measured dissociation rates. Only marginal differences in the survival probabilities of ACY and BPY in TMC-1 are indicated by these results, with both cations being stable for vibrational energies up to about 7.6 eV, which is 3 eV above the dissociation threshold energy.

Item Type:	Article
Additional Information:	Acknowledgments: This work was performed at the Swedish National Research Infrastructure, DESIREE (Swedish Research Council Contracts Grants No. 2021-00155, and No. 2023-00170), and is part of the project “Making and breaking of molecular bonds” (Grant No. 2024.0134) supported by the Knut and Alice Wallenberg Foundation. Furthermore, H.C., H.Z., and H.T.S. thank the Swedish Research Council for individual project grants (under Contracts No. 2023-03833, No. 2020-03437, and No. 2022-02822). This work was supported by an EPSRC New Investigator Award (EP/W018691 to J.N.B.). Electronic structure calculations used the ARCHER2 UK National Supercomputing Service (https://www.archer2.ac.uk) and the High Performance Computing Cluster (HALI) supported by the Research and Specialist Computing Support service at the University of East Anglia. This article is based upon work from COST Action CA21126 - Carbon molecular nanostructures in space (NanoSpace), supported by COST (European Cooperation in Science and Technology).
Faculty \ School:	Faculty of Science > School of Chemistry, Pharmacy and Pharmacology
UEA Research Groups:	Faculty of Science > Research Groups > Centre for Photonics and Quantum Science Faculty of Science > Research Groups > Chemistry of Light and Energy
Related URLs:	https://pubs.acs.org/doi/10.1021/acseart...
Depositing User:	LivePure Connector
Date Deposited:	28 Nov 2025 10:30
Last Modified:	30 Nov 2025 07:30
URI:	https://ueaeprints.uea.ac.uk/id/eprint/101127
DOI:	10.1021/acsearthspacechem.5c00283

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