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Isotope Substitution in Near Local-Mode H(2)X Molecules: Stretching Fundamental Bands of HDSe

Isotope Substitution in Near Local-Mode H(2)X Molecules: Stretching Fundamental Bands of HDSe

Journal of Molecular Spectroscopy 198(1): 27-39

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(-1) region and theoretically analyzed in the regions of the stretching fundamental bands nu(1) and nu(3) 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 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. Copyright 1999 Academic Press.

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Accession: 046489425

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PMID: 10527777

DOI: 10.1006/jmsp.1999.7914

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