Isotope Substitution in Near Local-Mode H2X Molecules: Stretching Fundamental Bands of HDSe

✍ Scribed by O.N. Ulenikov; G.A. Onopenko; N.E. Tyabaeva; H. Bürger; W. Jerzembeck

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 436 KB
• Volume: 198
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1999.7914

✦ Synopsis

The high-resolution FTIR spectrum of the HDSe molecule in the presence of H 2 Se and D 2 Se was recorded on 80 Se monoisotopic and natural samples in the 1500 -2900 cm Ϫ1 region and theoretically analyzed in the regions of the stretching fundamental bands 1 and 3 near 1692 and 2351 cm Ϫ1 , respectively. The analysis was performed starting from derived isotopic relations between vibration-rotation, anharmonic, centrifugal distortion, and other parameters which reveal high predictive power. Strong resonance interactions between the states (100) and ( 020) are taken into account, and sets of parameters which reproduce the experimental rotation-vibration energies of the ( 100) and ( 001) states with a mean accuracy of 0.00008 and 0.00009 cm Ϫ1 , respectively, for the HD 80 Se species, were obtained. For the less abundant species, for which some higher order terms were constrained, slightly worse agreement was achieved. The refined spectroscopic parameters are very close to their predicted values.