Abstract
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 language | English |
|---|---|
| Pages (from-to) | 27-39 |
| Number of pages | 13 |
| Journal | Journal of Molecular Spectroscopy |
| Volume | 198 |
| Issue number | 1 |
| Publication status | Published - Nov 1999 |
Fingerprint
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
Cite this
Isotope Substitution in Near Local-Mode H2X Molecules : Stretching Fundamental Bands of HDSe. / Ulenikov, O. N.; Onopenko, G. A.; Tyabaeva, N. E.; Bürger, H.; Jerzembeck, W.
In: Journal of Molecular Spectroscopy, Vol. 198, No. 1, 11.1999, p. 27-39.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Isotope Substitution in Near Local-Mode H2X Molecules
T2 - Stretching Fundamental Bands of HDSe
AU - Ulenikov, O. N.
AU - Onopenko, G. A.
AU - Tyabaeva, N. E.
AU - Bürger, H.
AU - Jerzembeck, W.
PY - 1999/11
Y1 - 1999/11
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0001870553&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0001870553&partnerID=8YFLogxK
M3 - Article
VL - 198
SP - 27
EP - 39
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
SN - 0022-2852
IS - 1
ER -