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)

O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, F. Zhang, C. Maul, C. Sydow, S. Bauerecker

Результат исследований: Материалы для журналаСтатья

1 цитирование (Scopus)

Выдержка

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 (2ν12, ν123, ν1+3ν2, 3ν23, 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 2ν12, ν123, ν1+3ν2, 3ν23, 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 2ν12 and ν123 bands of H2 34S (197 upper energy values; about 1.5 times higher number for the ν123 band and more than two times higher number for the 2ν12 band) were recorded and analysed. For the first time, 177 transitions (70 upper energy values) were assigned to the ν123 band of H2 33S.

Язык оригиналаАнглийский
Номер статьи106710
ЖурналJournal of Quantitative Spectroscopy and Radiative Transfer
Том240
DOI
СостояниеОпубликовано - янв 2020

Отпечаток

Hamiltonians
Hydrogen Sulfide
Infrared spectrometers
hydrogen sulfide
Fourier transforms
Infrared radiation
high resolution
vibrational states
energy
infrared spectrometers
quantum numbers
infrared spectra
prototypes
deviation

ASJC Scopus subject areas

  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy

Цитировать

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.

В: Journal of Quantitative Spectroscopy and Radiative Transfer, Том 240, 106710, 01.2020.

Результат исследований: Материалы для журналаСтатья

@article{77781ec1bee24379813e7612d47b3d95,
title = "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)",
abstract = "The high resolution infrared spectra of hydrogen sulfide H2 32S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Z{\"u}rich 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.",
keywords = "H S, H S isotopologues of hydrogen sulfide, Ro-vibration spectra of HS in the second hexad, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Gromova, {O. V.} and F. Zhang and C. Maul and C. Sydow and S. Bauerecker",
year = "2020",
month = "1",
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journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
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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

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