The vibration-rotation spectrum of 12C2HD:: new overtone bands and global vibrational analysis

Two new bands. 2nu(1) + nu(2) + nu(3) + 2nu(5) and 5nu(3) with origin at 12220.692 and 12496.158 cm(-1), respectively, were identified on new FT-ICLAS spectra of (C2HD)-C-12 and rotationally analyzed. The rotational analysis of two known bands, with origin at 12038.538 and 12234.872 cm(-1) was extended. Another band, 2nu(1) + 2nu(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. (C) 2004 Elsevier Inc. All rights reserved.