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

Institutions

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
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Infrared Spectra of Protonated Phenanthridine (C 13 H 9 NH + ) and Isomers of Monohydrogenated Phenanthridine (C 13 H 9 NH and 1-, 2-, 7-, 9-, and 10-HC 13 H 9 N) Isolated i

Young Keun Chung, Yuan‐Pern Lee, Ming‐Hua Yang
The Journal of Physical Chemistry A
Astrophysics and Star Formation Studies
article

Infrared Spectra of Protonated Phenanthridine (C 13 H 9 NH + ) and Isomers of Monohydrogenated Phenanthridine (C 13 H 9 NH and 1-, 2-, 7-, 9-, and 10-HC 13 H 9 N) Isolated i

Young Keun Chung, Yuan‐Pern Lee, Ming‐Hua Yang
article en

Abstract

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.

The Journal of Physical Chemistry AVol. 129(47)
National Yang Ming Chiao Tung University (TW), RIKEN Center for Emergent Matter Science (JP)
Openalex Percentile: Top 76%
Astrophysics and Star Formation Studies
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.