Rotational Spectra and Search for Aromatic Imines: 9-iminofluorene and Benzophenone Imine
Name
Ren_2026_ApJ_996_108.pdf
Description
Published version
Size
2.85 MB
Format
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Checksum (MD5)
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Author(s)
Ren, Huanyu
Stewart, D Archie
Wenzel, Gabi
Speak, Thomas H
Holdren, Martin S
Willis, Reace HJ
McGuire, Brett A
Date Issued
December 31, 2025
Journal
The Astrophysical Journal
Publisher
American Astronomical Society
Citation
Huanyu Ren et al 2026 ApJ 996 108
Version
Final published version
Abstract
Interstellar detections of several cyano derivatives of large polycyclic aromatic hydrocarbons (PAHs) have now been achieved, enabled by accurate laboratory measurements of their microwave rotational spectra. These results highlight the continued promise of other N-containing unsaturated PAHs, such as aromatic imines, as candidates for future laboratory studies and astronomical searches. In this work, we present broadband spectroscopic measurements of 9-iminofluorene and benzophenone imine in the 6–18 GHz band. These measurements yield accurate rotational, centrifugal distortion, and 14N quadrupole coupling constants for both molecules. Using these experimentally-derived constants, we attempted a search for both molecules in the cold molecular cloud TMC-1 using observations from the Green Bank Telescope. Neither of these two ketimines was detected above the current noise level, establishing upper limits for their column densities of 5.1 × 1012 cm−2 for 9-iminofluorene and 1.3 × 1013 cm−2 for benzophenone imine. We also attempted a search for phenylmethanimine (both E/Z isomers) as the simplest aromatic aldimine, but neither was detected in TMC-1. To provide insight into these nondetections, we propose and evaluate different formation pathways using respective potential energy surfaces as determined by high-precision quantum chemical calculations. The result suggests the presence of an entrance barrier to forming the intermediate species, potentially explaining the low abundance.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
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DOI of Published Version
https://doi.org/10.3847/1538-4357/ae29ab
