Infrared Spectra of Protonated Phenanthridine (C <sub>13</sub> H <sub>9</sub> NH <sup>+</sup> ) and Isomers of Monohydrogenated Phenanthridine (C <sub>13</sub> H <sub>9</sub> NH and 1-, 2-, 7-, 9-, and 10-HC <sub>13</sub> H <sub>9</sub> N) Isolated i
Laboratory infrared (IR) spectra of protonated or hydrogenated polycyclic aromatic nitrogen heterocycles offer valuable insights for identifying potential carriers of interstellar unidentified infrared (UIR) emission. We report the IR spectra of protonated phenanthridine (5-phenanthridinium cation, C<sub>13</sub>H<sub>9</sub>NH<sup>+</sup>), its neutral radical counterpart (5-phenanthridinyl radical, C<sub>13</sub>H<sub>9</sub>NH), and additional monohydrogenated phenanthridine, produced via the electron bombardment of a mixture of phenanthridine (C<sub>13</sub>H<sub>9</sub>N) in excess <i>para</i>-hydrogen (<i>p</i>-H<sub>2</sub>) during matrix deposition at 3.2 K. Complementary experiments involving ultraviolet/IR irradiation of a C<sub>13</sub>H<sub>9</sub>N/Cl<sub>2</sub>/<i>p</i>-H<sub>2</sub> matrix yielded improved spectra of HC<sub>13</sub>H<sub>9</sub>N, facilitating spectral identification of five monohydrogenated phenanthridine (1-, 2-, 7-, 9-, and 10-HC<sub>13</sub>H<sub>9</sub>N). Additionally, spectra of 3- and 6-HC<sub>13</sub>H<sub>9</sub>N were tentatively assigned because of the limited number of firmly identified lines. Spectral groupings were based on responses to secondary photolysis at varied wavelengths. Vibrational assignments were supported on comparison of experimental results with scaled harmonic vibrational wavenumbers and IR intensities of possible candidates computed using the B3LYP/6-311++G(d,p) method. Implications of the observed IR bands in relation to the UIR emission features are discussed.
Authors
- Young Keun Chung (ORCID: https://orcid.org/0000-0002-2837-5176)
- Yuan‐Pern Lee (ORCID: https://orcid.org/0000-0001-6418-7378)
- Ming‐Hua Yang (ORCID: https://orcid.org/0000-0001-6063-8397)
Institutions
- National Yang Ming Chiao Tung University (TW)
- RIKEN Center for Emergent Matter Science (JP)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2025-11-15
- DOI
- https://doi.org/10.1021/acs.jpca.5c06624
- Primary Topic
- Astrophysics and Star Formation Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00