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

O. N. Ulenikov, G. A. Onopenko, N. E. Tyabaeva, H. Bürger, W. Jerzembeck

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10 Citations (Scopus)


The high-resolution FTIR spectrum of the HDSe molecule in the presence of H2Se and D2Se was recorded on 80Se monoisotopic and natural samples in the 1500-2900 cm-1 region and theoretically analyzed in the regions of the stretching fundamental bands ν1 and ν3 near 1692 and 2351 cm-1, 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-1, respectively, for the HD80Se 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.

Original languageEnglish
Pages (from-to)27-39
Number of pages13
JournalJournal of Molecular Spectroscopy
Issue number1
Publication statusPublished - Nov 1999

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

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