The Rovibrational Overtone Spectrum of H13CNO up to 3600 cm−1: A Network of Resonance Systems

Abstract

The infrared spectrum of fulminic acid, H¹³CNO, has been analyzed in the range 700–3600 cm⁻¹. More than 90 new vibrational levels have been identified. Power series coefficients of these levels are given.

Every vibrational level and its rotational levels are locally or globally perturbed. It was possible to classify most of the interactions into a grand network of Coriolis- and/or Fermi-type resonance systems, similar to that described for the parent species H¹²CNO, by using the previously known basic resonance systems 00010/00002 and 00100/00004. In addition, as for H¹²CNO, another basic resonance for H¹³CNO was identified as 01000/00111, leading to the system 00015/01000/00103/(00111), corresponding to a resonance involving the same states in the parent species. As a consequence of the interactions, many so-called “resonance-enhanced” rovibrational subbands have been assigned. The identification and partial analysis of the resonance systems have been carried out, first with the help of different representations of reduced term values and second, by determining the J-value separation between e and f crossing points. The five main resonance systems will be discussed in this paper.