Abstract
High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.
| Original language | English |
|---|---|
| Pages (from-to) | 403-413 |
| Number of pages | 11 |
| Journal | Journal of Quantitative Spectroscopy and Radiative Transfer |
| Volume | 187 |
| DOIs | |
| Publication status | Published - 1 Jan 2017 |
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ASJC Scopus subject areas
- Radiation
- Atomic and Molecular Physics, and Optics
- Spectroscopy
Cite this
Ethylene-1-13C (13C12CH4) : First analysis of the ν2, ν3 and 2ν10 bands and re–analysis of the ν12 band and of the ground vibrational state. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Aslapovskaya, Yu S.; Tan, T. L.; Sydow, C.; Maul, C.; Bauerecker, S.
In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 187, 01.01.2017, p. 403-413.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Ethylene-1-13C (13C12CH4)
T2 - First analysis of the ν2, ν3 and 2ν10 bands and re–analysis of the ν12 band and of the ground vibrational state
AU - Ulenikov, O. N.
AU - Gromova, O. V.
AU - Bekhtereva, E. S.
AU - Aslapovskaya, Yu S.
AU - Tan, T. L.
AU - Sydow, C.
AU - Maul, C.
AU - Bauerecker, S.
PY - 2017/1/1
Y1 - 2017/1/1
N2 - High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.
AB - High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.
UR - http://www.scopus.com/inward/record.url?scp=84994311190&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84994311190&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2016.10.009
DO - 10.1016/j.jqsrt.2016.10.009
M3 - Article
VL - 187
SP - 403
EP - 413
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
SN - 0022-4073
ER -