Laboratory rotational spectra of cyanocyclohexane and its siblings (1- and 4-cyanocyclohexene) using a compact CP-FTMW spectrometer for interstellar detection

Chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy is a versatile technique to record broadband gas-phase rotational spectra, enabling detailed investigations of molecular structure, dynamics, and hyperfine interactions. Here, we present the development and application of a CP-FTMW spectrometer operating in the 6.5-18 GHz frequency range, studying cyanocyclohexane, 1-cyanocyclohexene, and 4-cyanocyclohexene using a heated pulsed supersonic expansion source. The dynamic range, experimental resolution, and high sensitivity enable observation of multiple conformers, precise measurements of hyperfine splitting arising from nuclear quadrupole coupling due to the nitrogen atom in the cyano group, as well as the observation of singly $^{13}$C- and $^{15}$N-substituted isotopic isomers in natural abundance. Using the latter, precise structures for the molecules are derived. The accurate rotational spectra enabled a search for these species toward the dark, cold molecular cloud TMC-1; no signals are found, and we discuss the implications of derived upper limits on the interstellar chemistry of the cyanocyclohexane family.

Publication Details

Journal
ArXiv.org
Published
2025-04-18
Primary Topic
Molecular Spectroscopy and Structure
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article
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article

Laboratory rotational spectra of cyanocyclohexane and its siblings (1- and 4-cyanocyclohexene) using a compact CP-FTMW spectrometer for interstellar detection

ArXiv.org
Molecular Spectroscopy and Structure
article

Laboratory rotational spectra of cyanocyclohexane and its siblings (1- and 4-cyanocyclohexene) using a compact CP-FTMW spectrometer for interstellar detection

article en

Abstract

Chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy is a versatile technique to record broadband gas-phase rotational spectra, enabling detailed investigations of molecular structure, dynamics, and hyperfine interactions. Here, we present the development and application of a CP-FTMW spectrometer operating in the 6.5-18 GHz frequency range, studying cyanocyclohexane, 1-cyanocyclohexene, and 4-cyanocyclohexene using a heated pulsed supersonic expansion source. The dynamic range, experimental resolution, and high sensitivity enable observation of multiple conformers, precise measurements of hyperfine splitting arising from nuclear quadrupole coupling due to the nitrogen atom in the cyano group, as well as the observation of singly $^{13}$C- and $^{15}$N-substituted isotopic isomers in natural abundance. Using the latter, precise structures for the molecules are derived. The accurate rotational spectra enabled a search for these species toward the dark, cold molecular cloud TMC-1; no signals are found, and we discuss the implications of derived upper limits on the interstellar chemistry of the cyanocyclohexane family.

ArXiv.org
Openalex Percentile: Top 55%
Molecular Spectroscopy and Structure
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