Abstract
The main goal of the present study was to improve the already published rotational structure analysis of the ground vibrational state of the13CH3Dmolecule. To realise that,we recorded high-resolution spectra of a set of the strongly interacting vibrational bands, 2ν3(A1), 2ν6(A1), 2ν6(E), ν2(A1), ν5+ ν6(A1), ν5+ ν6(A2), ν5+ ν6(E) and ν3+ ν6(E). From the analysis of the experimental data, more than 1900 ground state combination differences (GSCD) were determined with Jmax= 18, ΔJmax= 2 and Kmax= 15. The a1/a2splittings of the states with quantum number K = 3 were taken into account. The presence of numerous forbidden transitions allowed us to determine with high accuracy GSCD not only with ΔK = 0, but with ΔK = ± 1, ± 2 and ± 3, as well. Spectroscopic parameters of the ground vibrational state were determined from the joint fit of the obtained GSCD (they are reproduced with drms= 0.00014 cm-1). The 21 highly accurate THz-region transitions which were also used as input data, are reproduced with drms= 47 kHz.
| Original language | English |
|---|---|
| Pages (from-to) | 2228-2232 |
| Number of pages | 5 |
| Journal | Molecular Physics |
| Volume | 111 |
| Issue number | 14-15 |
| DOIs | |
| Publication status | Published - 2013 |
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Keywords
- Ground state rotational structure
- Monodeuterated methane
- Spectroscopic parameters
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Biophysics
- Molecular Biology
Cite this
On the improvement of the rotational structure analysis of13CH3D ground vibrational state. / Ulenikov, O. N.; Bekhtereva, E. S.; Konova, M. R.; Krivchikova, Yu V.; Horneman, V. M.
In: Molecular Physics, Vol. 111, No. 14-15, 2013, p. 2228-2232.Research output: Contribution to journal › Article
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TY - JOUR
T1 - On the improvement of the rotational structure analysis of13CH3D ground vibrational state
AU - Ulenikov, O. N.
AU - Bekhtereva, E. S.
AU - Konova, M. R.
AU - Krivchikova, Yu V.
AU - Horneman, V. M.
PY - 2013
Y1 - 2013
N2 - The main goal of the present study was to improve the already published rotational structure analysis of the ground vibrational state of the13CH3Dmolecule. To realise that,we recorded high-resolution spectra of a set of the strongly interacting vibrational bands, 2ν3(A1), 2ν6(A1), 2ν6(E), ν2(A1), ν5+ ν6(A1), ν5+ ν6(A2), ν5+ ν6(E) and ν3+ ν6(E). From the analysis of the experimental data, more than 1900 ground state combination differences (GSCD) were determined with Jmax= 18, ΔJmax= 2 and Kmax= 15. The a1/a2splittings of the states with quantum number K = 3 were taken into account. The presence of numerous forbidden transitions allowed us to determine with high accuracy GSCD not only with ΔK = 0, but with ΔK = ± 1, ± 2 and ± 3, as well. Spectroscopic parameters of the ground vibrational state were determined from the joint fit of the obtained GSCD (they are reproduced with drms= 0.00014 cm-1). The 21 highly accurate THz-region transitions which were also used as input data, are reproduced with drms= 47 kHz.
AB - The main goal of the present study was to improve the already published rotational structure analysis of the ground vibrational state of the13CH3Dmolecule. To realise that,we recorded high-resolution spectra of a set of the strongly interacting vibrational bands, 2ν3(A1), 2ν6(A1), 2ν6(E), ν2(A1), ν5+ ν6(A1), ν5+ ν6(A2), ν5+ ν6(E) and ν3+ ν6(E). From the analysis of the experimental data, more than 1900 ground state combination differences (GSCD) were determined with Jmax= 18, ΔJmax= 2 and Kmax= 15. The a1/a2splittings of the states with quantum number K = 3 were taken into account. The presence of numerous forbidden transitions allowed us to determine with high accuracy GSCD not only with ΔK = 0, but with ΔK = ± 1, ± 2 and ± 3, as well. Spectroscopic parameters of the ground vibrational state were determined from the joint fit of the obtained GSCD (they are reproduced with drms= 0.00014 cm-1). The 21 highly accurate THz-region transitions which were also used as input data, are reproduced with drms= 47 kHz.
KW - Ground state rotational structure
KW - Monodeuterated methane
KW - Spectroscopic parameters
UR - http://www.scopus.com/inward/record.url?scp=84945749111&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84945749111&partnerID=8YFLogxK
U2 - 10.1080/00268976.2013.798437
DO - 10.1080/00268976.2013.798437
M3 - Article
VL - 111
SP - 2228
EP - 2232
JO - Molecular Physics
JF - Molecular Physics
SN - 0026-8976
IS - 14-15
ER -