Abstract
The highly accurate (experimental accuracy in line positions ~(1-3)×10-4cm-1) FTIR ro-vibrational spectra of CH2=CD2in the region of 600-1300 cm-1, where the fundamental bands ν10, ν7, ν4, ν8, ν3, and ν6are located, were recorded and analyzed with the Hamiltonian model which takes into account resonance interactions between all six studied bands. About 12 200 ro-vibrational transitions belonging to these bands (that is considerably more than it was made in the preceding studies for the bands ν10, ν7, ν8, ν3and ν6; transitions belonging to the ν4band were assigned for the first time) were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 31/20, 46/18, 33/11, 50/26, 44/20 and 42/21 for the bands ν10, ν7, ν4, ν8, ν3, and ν6, respectively. On that basis, a set of 133 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. They reproduce values of 3920 initial "experimental" ro-vibrational energy levels (positions of about 12 200 experimentally recorded and assigned transitions) with the rms error drms=2.3×10-4cm-1.
| Original language | English |
|---|---|
| Pages (from-to) | 14-28 |
| Number of pages | 15 |
| Journal | Journal of Quantitative Spectroscopy and Radiative Transfer |
| Volume | 180 |
| DOIs | |
| Publication status | Published - 1 Sep 2016 |
Fingerprint
Keywords
- CH2=CD2
- High-resolution spectra
- Spectroscopic parameters
ASJC Scopus subject areas
- Spectroscopy
- Atomic and Molecular Physics, and Optics
- Radiation
Cite this
Study of resonance interactions in polyatomic molecules on the basis of highly accurate experimental data : Set of strongly interacting Bands ν10(B1), ν7(B2), ν4(A2), ν8(B2), ν3(A1)and ν6(B1) of CH2=CD2. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Berezkin, K. B.; Kashirina, N. V.; Tan, T. L.; Sydow, C.; Maul, C.; Bauerecker, S.
In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 180, 01.09.2016, p. 14-28.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Study of resonance interactions in polyatomic molecules on the basis of highly accurate experimental data
T2 - Set of strongly interacting Bands ν10(B1), ν7(B2), ν4(A2), ν8(B2), ν3(A1)and ν6(B1) of CH2=CD2
AU - Ulenikov, O. N.
AU - Gromova, O. V.
AU - Bekhtereva, E. S.
AU - Berezkin, K. B.
AU - Kashirina, N. V.
AU - Tan, T. L.
AU - Sydow, C.
AU - Maul, C.
AU - Bauerecker, S.
PY - 2016/9/1
Y1 - 2016/9/1
N2 - The highly accurate (experimental accuracy in line positions ~(1-3)×10-4cm-1) FTIR ro-vibrational spectra of CH2=CD2in the region of 600-1300 cm-1, where the fundamental bands ν10, ν7, ν4, ν8, ν3, and ν6are located, were recorded and analyzed with the Hamiltonian model which takes into account resonance interactions between all six studied bands. About 12 200 ro-vibrational transitions belonging to these bands (that is considerably more than it was made in the preceding studies for the bands ν10, ν7, ν8, ν3and ν6; transitions belonging to the ν4band were assigned for the first time) were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 31/20, 46/18, 33/11, 50/26, 44/20 and 42/21 for the bands ν10, ν7, ν4, ν8, ν3, and ν6, respectively. On that basis, a set of 133 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. They reproduce values of 3920 initial "experimental" ro-vibrational energy levels (positions of about 12 200 experimentally recorded and assigned transitions) with the rms error drms=2.3×10-4cm-1.
AB - The highly accurate (experimental accuracy in line positions ~(1-3)×10-4cm-1) FTIR ro-vibrational spectra of CH2=CD2in the region of 600-1300 cm-1, where the fundamental bands ν10, ν7, ν4, ν8, ν3, and ν6are located, were recorded and analyzed with the Hamiltonian model which takes into account resonance interactions between all six studied bands. About 12 200 ro-vibrational transitions belonging to these bands (that is considerably more than it was made in the preceding studies for the bands ν10, ν7, ν8, ν3and ν6; transitions belonging to the ν4band were assigned for the first time) were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 31/20, 46/18, 33/11, 50/26, 44/20 and 42/21 for the bands ν10, ν7, ν4, ν8, ν3, and ν6, respectively. On that basis, a set of 133 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. They reproduce values of 3920 initial "experimental" ro-vibrational energy levels (positions of about 12 200 experimentally recorded and assigned transitions) with the rms error drms=2.3×10-4cm-1.
KW - CH2=CD2
KW - High-resolution spectra
KW - Spectroscopic parameters
UR - http://www.scopus.com/inward/record.url?scp=84963859707&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84963859707&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2016.04.001
DO - 10.1016/j.jqsrt.2016.04.001
M3 - Article
VL - 180
SP - 14
EP - 28
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
SN - 0022-4073
ER -