Extended analysis of the FTIR high–resolution spectrum of D2 32S in the region of the ν2 band

C. Sydow, O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, P. A. Glushkov, C. Maul, S. Bauerecker

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2 Citations (Scopus)

Abstract

The high resolution infrared spectra of dideuterated hydrogen sulfide D2S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the ν2 fundamental band region, 750–1200 cm−1. The 1742 transitions (which is more than two times more than in the preceding analogous studies) were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax=30 and Ka max=21). The subsequent weighted fit of experimentally assigned transitions was made with the Watson Hamiltonian, resulting in a set of 34 parameters which reproduces the initial 535 infrared ro–vibrational energy values from 1742 experimental line positions with a root mean square deviation drms=1.31×10−4 cm−1. An analysis of 280 experimental ro–vibrational line intensities (324 transitions) of the ν2 band was made using the Hartmann–Tran profile of individual lines, and the results were applied then in the fit of parameters of the effective dipole moment operator. Isotopic relations for the dipole moment parameters were derived and used for the fit procedure. The obtained “model dependent” parameters reproduce the initial line strengths with the drms=2.5%. A list of 1742 experimental transitions of D2S is generated together with the presentation of their individual line strengths calculated on the basis of the obtained effective dipole moment parameters.

Original languageEnglish
Pages (from-to)460-473
Number of pages14
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume224
DOIs
Publication statusPublished - 1 Feb 2019

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Dipole moment
dipole moments
Infrared radiation
Hamiltonians
Hydrogen Sulfide
Infrared spectrometers
Fourier transforms
hydrogen sulfide
infrared spectrometers
lists
quantum numbers
infrared spectra
prototypes
deviation
operators
high resolution
profiles
energy

Keywords

  • DS high resolution spectra
  • Spectroscopic parameters
  • v band: line positions and strengths

ASJC Scopus subject areas

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

Cite this

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title = "Extended analysis of the FTIR high–resolution spectrum of D2 32S in the region of the ν2 band",
abstract = "The high resolution infrared spectra of dideuterated hydrogen sulfide D2S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Z{\"u}rich prototype ZP2001) and analyzed in the ν2 fundamental band region, 750–1200 cm−1. The 1742 transitions (which is more than two times more than in the preceding analogous studies) were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax=30 and Ka max=21). The subsequent weighted fit of experimentally assigned transitions was made with the Watson Hamiltonian, resulting in a set of 34 parameters which reproduces the initial 535 infrared ro–vibrational energy values from 1742 experimental line positions with a root mean square deviation drms=1.31×10−4 cm−1. An analysis of 280 experimental ro–vibrational line intensities (324 transitions) of the ν2 band was made using the Hartmann–Tran profile of individual lines, and the results were applied then in the fit of parameters of the effective dipole moment operator. Isotopic relations for the dipole moment parameters were derived and used for the fit procedure. The obtained “model dependent” parameters reproduce the initial line strengths with the drms=2.5{\%}. A list of 1742 experimental transitions of D2S is generated together with the presentation of their individual line strengths calculated on the basis of the obtained effective dipole moment parameters.",
keywords = "DS high resolution spectra, Spectroscopic parameters, v band: line positions and strengths",
author = "C. Sydow and Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Gromova, {O. V.} and Glushkov, {P. A.} and C. Maul and S. Bauerecker",
year = "2019",
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TY - JOUR

T1 - Extended analysis of the FTIR high–resolution spectrum of D2 32S in the region of the ν2 band

AU - Sydow, C.

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Gromova, O. V.

AU - Glushkov, P. A.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2019/2/1

Y1 - 2019/2/1

N2 - The high resolution infrared spectra of dideuterated hydrogen sulfide D2S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the ν2 fundamental band region, 750–1200 cm−1. The 1742 transitions (which is more than two times more than in the preceding analogous studies) were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax=30 and Ka max=21). The subsequent weighted fit of experimentally assigned transitions was made with the Watson Hamiltonian, resulting in a set of 34 parameters which reproduces the initial 535 infrared ro–vibrational energy values from 1742 experimental line positions with a root mean square deviation drms=1.31×10−4 cm−1. An analysis of 280 experimental ro–vibrational line intensities (324 transitions) of the ν2 band was made using the Hartmann–Tran profile of individual lines, and the results were applied then in the fit of parameters of the effective dipole moment operator. Isotopic relations for the dipole moment parameters were derived and used for the fit procedure. The obtained “model dependent” parameters reproduce the initial line strengths with the drms=2.5%. A list of 1742 experimental transitions of D2S is generated together with the presentation of their individual line strengths calculated on the basis of the obtained effective dipole moment parameters.

AB - The high resolution infrared spectra of dideuterated hydrogen sulfide D2S were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the ν2 fundamental band region, 750–1200 cm−1. The 1742 transitions (which is more than two times more than in the preceding analogous studies) were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax=30 and Ka max=21). The subsequent weighted fit of experimentally assigned transitions was made with the Watson Hamiltonian, resulting in a set of 34 parameters which reproduces the initial 535 infrared ro–vibrational energy values from 1742 experimental line positions with a root mean square deviation drms=1.31×10−4 cm−1. An analysis of 280 experimental ro–vibrational line intensities (324 transitions) of the ν2 band was made using the Hartmann–Tran profile of individual lines, and the results were applied then in the fit of parameters of the effective dipole moment operator. Isotopic relations for the dipole moment parameters were derived and used for the fit procedure. The obtained “model dependent” parameters reproduce the initial line strengths with the drms=2.5%. A list of 1742 experimental transitions of D2S is generated together with the presentation of their individual line strengths calculated on the basis of the obtained effective dipole moment parameters.

KW - DS high resolution spectra

KW - Spectroscopic parameters

KW - v band: line positions and strengths

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