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May 1, 2026Communications Chemistry0 citationsOpen Access

Measured active rotational-vibrational energy levels (MARVEL) analysis of high-resolution rovibrational spectra of H12C14N

WAWaed O. H. Al-NashashAAAla’a AzzamSASana A. E. Abzakh

Key Points

  • This research aims to analyze high-resolution rovibrational spectra of H12C14N and compare empirical results with existing datasets.
  • Conducted a MARVEL analysis of the rovibrational energy levels and transitions of H12C14N.
  • Compared empirical energy levels with datasets from HITRAN2020, ExoMol, and MOMeNT-90.
  • Assessed the accuracy of the empirical rovibrational spectra against composite datasets.
  • Demonstrated excellent overall agreement with HITRAN2020, ExoMol, and MOMeNT-90 datasets.
  • Identified significant discrepancies in the published labels of many lines in HITRAN2020.
  • Noted a strong association with 174 vibrational bands from the empirical data.

Abstract

N; they are associated with 174 vibrational bands. A comparison of the empirical rovibrational energy levels obtained in this study, and the transitions that can be generated from them, with those in the composite experimental/empirical/first-principles-computed HITRAN2020, ExoMol, and MOMeNT-90 datasets reveals excellent overall agreement. Nevertheless, there are particularly notable exceptions in the case of HITRAN2020, for which there appear to be problems with the published labels of many lines.

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Cite This Study

Al-Nashash et al. (2026) studied this question.

synapsesocial.com/papers/69f442d4967e944ac55663f2https://doi.org/10.1038/s42004-026-02031-5
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