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Ashworth, Eleanor K. and Bull, James N. 
ORCID: https://orcid.org/0000-0003-0953-1716
(2024)
Photoelectron spectroscopy of deprotonated benzonitrile.
The Journal of Chemical Physics, 161 (11).
ISSN 0021-9606
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Abstract
The recent discovery of cyano-substituted aromatic and two-ring polycyclic aromatic hydrocarbon molecules in Taurus Molecular Cloud-1 has prompted questions on how the electronic structure and excited-state dynamics of these molecules are linked with their existence and abundance. Here, we report a photodetachment and frequency- and angle-resolved photoelectron spectroscopy study of jet-cooled para-deprotonated benzonitrile (p-[Bzn-H]−). The adiabatic detachment energy was determined as 1.70 ± 0.01 eV, in good agreement with CCSD(T)/aug-cc-pVTZ calculations. The spectra across the first few electron-volts above threshold are dominated by prompt autodetachment processes associated with excitation of at least five short-lived (tens of femtoseconds) temporary anion shaped resonances since excitation cross sections are several orders of magnitude larger than direct photodetachment cross sections. The photoexcitation vibronic profile is dominated by a ≈640 cm−1 ring deformation mode. [Bzn-H]− lacks a valence-localized excited state situated below the detachment threshold and does not exhibit thermionic emission following excitation of the temporary anion resonances. Thus, [Bzn-H]− is unlikely to be stable in many interstellar environments.
| Item Type: | Article |
|---|---|
| Faculty \ School: | Faculty of Science 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: | |
| Depositing User: | LivePure Connector |
| Date Deposited: | 19 Sep 2024 10:30 |
| Last Modified: | 25 Sep 2024 18:10 |
| URI: | https://ueaeprints.uea.ac.uk/id/eprint/96773 |
| DOI: | 10.1063/5.0231206 |
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