Abstract
The high resolution infrared spectra of hydrogen sulfide H2 32S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the region of 5650–6660 cm−1 where six interacting bands (2ν1+ν2, ν1+ν2+ν3, ν1+3ν2, 3ν2+ν3, 5ν2 and ν2+2ν3) of the second hexade are located. 2452 transitions with maximum values of the quantum numbers Jmax = 18/19/13/14/14/11 and Ka max = 10/11/8/11/7/5 were assigned in the experimental spectra to the 2ν1+ν2, ν1+ν2+ν3, ν1+3ν2, 3ν2+ν3, 5ν2 and ν2+2ν3 bands. On this basis, 194/216/108/104/90/9 upper ro–vibrational energies (more than 1.4 times higher number of both transitions and upper energy values compared to the preceding studies) were obtained for the upper vibrational states (210), (111), (130), (031), (050) and (012). These data were used in the weighted fit of the Watson Hamiltonian parameters. The 172 parameters obtained from the fit reproduce the 721 initial energy values of six vibrational states (2452 transitions) with the root mean square deviation drms=7.1×10−4 cm−1. The 534 transitions belonging to the 2ν1+ν2 and ν1+ν2+ν3 bands of H2 34S (197 upper energy values; about 1.5 times higher number for the ν1+ν2+ν3 band and more than two times higher number for the 2ν1+ν2 band) were recorded and analysed. For the first time, 177 transitions (70 upper energy values) were assigned to the ν1+ν2+ν3 band of H2 33S.
| Original language | English |
|---|---|
| Article number | 106710 |
| Journal | Journal of Quantitative Spectroscopy and Radiative Transfer |
| Volume | 240 |
| DOIs | |
| Publication status | Published - Jan 2020 |
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Keywords
- H S, H S isotopologues of hydrogen sulfide
- Ro-vibration spectra of HS in the second hexad
- Spectroscopic parameters
ASJC Scopus subject areas
- Radiation
- Atomic and Molecular Physics, and Optics
- Spectroscopy
Cite this
Extended FTIR high resolution analysis of hydrogen sulfide in the region of the second hexad : Line positions and ro–vibrational energies of H2 MS (M=32,33,34). / Ulenikov, O. N.; Bekhtereva, E. S.; Gromova, O. V.; Zhang, F.; Maul, C.; Sydow, C.; Bauerecker, S.
In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 240, 106710, 01.2020.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Extended FTIR high resolution analysis of hydrogen sulfide in the region of the second hexad
T2 - Line positions and ro–vibrational energies of H2 MS (M=32,33,34)
AU - Ulenikov, O. N.
AU - Bekhtereva, E. S.
AU - Gromova, O. V.
AU - Zhang, F.
AU - Maul, C.
AU - Sydow, C.
AU - Bauerecker, S.
PY - 2020/1
Y1 - 2020/1
N2 - The high resolution infrared spectra of hydrogen sulfide H2 32S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the region of 5650–6660 cm−1 where six interacting bands (2ν1+ν2, ν1+ν2+ν3, ν1+3ν2, 3ν2+ν3, 5ν2 and ν2+2ν3) of the second hexade are located. 2452 transitions with maximum values of the quantum numbers Jmax = 18/19/13/14/14/11 and Ka max = 10/11/8/11/7/5 were assigned in the experimental spectra to the 2ν1+ν2, ν1+ν2+ν3, ν1+3ν2, 3ν2+ν3, 5ν2 and ν2+2ν3 bands. On this basis, 194/216/108/104/90/9 upper ro–vibrational energies (more than 1.4 times higher number of both transitions and upper energy values compared to the preceding studies) were obtained for the upper vibrational states (210), (111), (130), (031), (050) and (012). These data were used in the weighted fit of the Watson Hamiltonian parameters. The 172 parameters obtained from the fit reproduce the 721 initial energy values of six vibrational states (2452 transitions) with the root mean square deviation drms=7.1×10−4 cm−1. The 534 transitions belonging to the 2ν1+ν2 and ν1+ν2+ν3 bands of H2 34S (197 upper energy values; about 1.5 times higher number for the ν1+ν2+ν3 band and more than two times higher number for the 2ν1+ν2 band) were recorded and analysed. For the first time, 177 transitions (70 upper energy values) were assigned to the ν1+ν2+ν3 band of H2 33S.
AB - The high resolution infrared spectra of hydrogen sulfide H2 32S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the region of 5650–6660 cm−1 where six interacting bands (2ν1+ν2, ν1+ν2+ν3, ν1+3ν2, 3ν2+ν3, 5ν2 and ν2+2ν3) of the second hexade are located. 2452 transitions with maximum values of the quantum numbers Jmax = 18/19/13/14/14/11 and Ka max = 10/11/8/11/7/5 were assigned in the experimental spectra to the 2ν1+ν2, ν1+ν2+ν3, ν1+3ν2, 3ν2+ν3, 5ν2 and ν2+2ν3 bands. On this basis, 194/216/108/104/90/9 upper ro–vibrational energies (more than 1.4 times higher number of both transitions and upper energy values compared to the preceding studies) were obtained for the upper vibrational states (210), (111), (130), (031), (050) and (012). These data were used in the weighted fit of the Watson Hamiltonian parameters. The 172 parameters obtained from the fit reproduce the 721 initial energy values of six vibrational states (2452 transitions) with the root mean square deviation drms=7.1×10−4 cm−1. The 534 transitions belonging to the 2ν1+ν2 and ν1+ν2+ν3 bands of H2 34S (197 upper energy values; about 1.5 times higher number for the ν1+ν2+ν3 band and more than two times higher number for the 2ν1+ν2 band) were recorded and analysed. For the first time, 177 transitions (70 upper energy values) were assigned to the ν1+ν2+ν3 band of H2 33S.
KW - H S, H S isotopologues of hydrogen sulfide
KW - Ro-vibration spectra of HS in the second hexad
KW - Spectroscopic parameters
UR - http://www.scopus.com/inward/record.url?scp=85073970994&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85073970994&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2019.106710
DO - 10.1016/j.jqsrt.2019.106710
M3 - Article
AN - SCOPUS:85073970994
VL - 240
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
SN - 0022-4073
M1 - 106710
ER -