Rotational transitions within the 21, 31, 41, and 61 states of formaldehyde H212C16O This article is part of a Special Issue on Spectroscopy at the University of New Brunswick in honour of Colan Linton and Ron Lees.

Abstract

This work, besides its fundamental interest, is motivated by the atmospheric and astrophysical importance of formaldehyde (H2CO). The goal of this study is to complete the already existing list of rotational transitions within the ground vibration state by a list of transitions within the four first excited 21, 31, 41, and 61 vibrational states, to help the detection of this species by microwave or millimetre wave techniques. For this purpose, the rotational spectra of H2CO in the 21, 31, 41, and 61 excited vibrational states have been investigated in Lille and Cologne in the millimetre region at 160–600 GHz and 850–903 GHz, respectively. The results of these millimetre wave measurements were combined with the 21, 31, 41, and 61 infrared energy levels, which were obtained from previous analysis of FTS spectra of the ν4 (out of plane bending mode), ν6 (CH2 rock mode), and ν3 (CH2 bending mode) bands recorded in the 10 µm region (D.C. Reuter, S. Nadler, S.J. Daunt, and J.W.C. Johns. J. Chem. Phys. 91, 646 (1989)) and more recently for the ν2 fundamental band (C=O stretching, located at 1746.009 cm–1) (F. Kwabia Tchana, A. Perrin, and N. Lacome. J. Mol. Spectrosc. 245, 141, (2007)). The energy level calculation of the 21, 31, 41, and 61 interacting states accounts for the various Coriolis-type resonances that perturb the energy levels of the 21, 31, 41, and 61 vibrational states as well as for the anharmonic resonances coupling the 21 and 31 energy levels, and in this way the microwave and infrared data could be reproduced within their associated experimental uncertainty. However, it is clear that the theoretical model used to account for the very large A-type Coriolis resonance linking the 41 and 61 energy levels of H2CO is only effective with poor physical meaning.