The vibration–rotation spectrum of 12C 2HD: new overtone bands and global vibrational analysis

Abstract

Two new bands, 2 ν 1+ ν 2+ ν 3+2 ν 5 and 5 ν 3 with origin at 12220.692 and 12496.158 cm −1, respectively, were identified on new FT-ICLAS spectra of 12C 2HD and rotationally analyzed. The rotational analysis of two known bands, with origin at 12038.538 and 12234.872 cm −1 was extended. Another band, 2 ν 1+2 ν 5 with origin at 7843.6622 cm −1, was identified for the first time and rotationally analyzed, from a high pressure conventional FT spectrum. Some 115 known vibrational state energies in the molecule, extending up to the visible range, were used to produce updated vibrational constants. Both a straightforward Dunham model and a global model accounting for a single anharmonic resonance, K 1/255, were used. The results are discussed.