Extended analysis of FTIR high resolution spectra of HD32S and HD34S in the region of the ν2 band

Positions and strengths of individual lines

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

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The high resolution infrared spectra of deuterated hydrogen sulfide HDS were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zurich prototype ZP2001) and analyzed in the ν2 fundamental band region, 690–1510 cm−1. 2684 transitions with maximum values of the quantum numbers Jmax = 25 and Ka max = 17 were assigned in the experimental spectra to the ν2 band (compared to Jmax = 22 and Ka max = 10 in the preceding analogous studies) of HD32S. On this basis, 415 upper ro–vibrational energies were obtained, which were used then in the weighted fit of the Watson Hamiltonian parameters. 33 parameters obtained from the fit reproduce the 415 initial energy values with a root mean square deviation drms=1.1×10−4 cm−1. An analysis of 418 experimental ro–vibrational line intensities of the ν2 band of HD32S was made using the Hartmann–Tran profile of individual lines, and results were applied 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” parameters reproduce the initial line strengths with the drms=4.7%. A list of 2684 experimental transitions of HDS is generated together with the presentation of their individual line strengths predicted on the basis of the obtained effective dipole moment parameters. An analogous analysis was fulfilled for the ν2 band of the HD34S isotopologue.

Original languageEnglish
Pages (from-to)286-300
Number of pages15
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume225
DOIs
Publication statusPublished - 1 Mar 2019

Fingerprint

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

Keywords

  • HDS high resolution spectra
  • Spectroscopic parameters
  • ν band: line positions and strengths

ASJC Scopus subject areas

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

Cite this

@article{70058111321a4f948bef7d8124fc2697,
title = "Extended analysis of FTIR high resolution spectra of HD32S and HD34S in the region of the ν2 band: Positions and strengths of individual lines",
abstract = "The high resolution infrared spectra of deuterated hydrogen sulfide HDS were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zurich prototype ZP2001) and analyzed in the ν2 fundamental band region, 690–1510 cm−1. 2684 transitions with maximum values of the quantum numbers Jmax = 25 and Ka max = 17 were assigned in the experimental spectra to the ν2 band (compared to Jmax = 22 and Ka max = 10 in the preceding analogous studies) of HD32S. On this basis, 415 upper ro–vibrational energies were obtained, which were used then in the weighted fit of the Watson Hamiltonian parameters. 33 parameters obtained from the fit reproduce the 415 initial energy values with a root mean square deviation drms=1.1×10−4 cm−1. An analysis of 418 experimental ro–vibrational line intensities of the ν2 band of HD32S was made using the Hartmann–Tran profile of individual lines, and results were applied 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” parameters reproduce the initial line strengths with the drms=4.7{\%}. A list of 2684 experimental transitions of HDS is generated together with the presentation of their individual line strengths predicted on the basis of the obtained effective dipole moment parameters. An analogous analysis was fulfilled for the ν2 band of the HD34S isotopologue.",
keywords = "HDS high resolution spectra, Spectroscopic parameters, ν band: line positions and strengths",
author = "C. Sydow and Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Gromova, {O. V.} and Zhou Xintong and Glushkov, {P. A.} and C. Maul and S. Bauerecker",
year = "2019",
month = "3",
day = "1",
doi = "10.1016/j.jqsrt.2018.12.040",
language = "English",
volume = "225",
pages = "286--300",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

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TY - JOUR

T1 - Extended analysis of FTIR high resolution spectra of HD32S and HD34S in the region of the ν2 band

T2 - Positions and strengths of individual lines

AU - Sydow, C.

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Gromova, O. V.

AU - Xintong, Zhou

AU - Glushkov, P. A.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2019/3/1

Y1 - 2019/3/1

N2 - The high resolution infrared spectra of deuterated hydrogen sulfide HDS were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zurich prototype ZP2001) and analyzed in the ν2 fundamental band region, 690–1510 cm−1. 2684 transitions with maximum values of the quantum numbers Jmax = 25 and Ka max = 17 were assigned in the experimental spectra to the ν2 band (compared to Jmax = 22 and Ka max = 10 in the preceding analogous studies) of HD32S. On this basis, 415 upper ro–vibrational energies were obtained, which were used then in the weighted fit of the Watson Hamiltonian parameters. 33 parameters obtained from the fit reproduce the 415 initial energy values with a root mean square deviation drms=1.1×10−4 cm−1. An analysis of 418 experimental ro–vibrational line intensities of the ν2 band of HD32S was made using the Hartmann–Tran profile of individual lines, and results were applied 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” parameters reproduce the initial line strengths with the drms=4.7%. A list of 2684 experimental transitions of HDS is generated together with the presentation of their individual line strengths predicted on the basis of the obtained effective dipole moment parameters. An analogous analysis was fulfilled for the ν2 band of the HD34S isotopologue.

AB - The high resolution infrared spectra of deuterated hydrogen sulfide HDS were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zurich prototype ZP2001) and analyzed in the ν2 fundamental band region, 690–1510 cm−1. 2684 transitions with maximum values of the quantum numbers Jmax = 25 and Ka max = 17 were assigned in the experimental spectra to the ν2 band (compared to Jmax = 22 and Ka max = 10 in the preceding analogous studies) of HD32S. On this basis, 415 upper ro–vibrational energies were obtained, which were used then in the weighted fit of the Watson Hamiltonian parameters. 33 parameters obtained from the fit reproduce the 415 initial energy values with a root mean square deviation drms=1.1×10−4 cm−1. An analysis of 418 experimental ro–vibrational line intensities of the ν2 band of HD32S was made using the Hartmann–Tran profile of individual lines, and results were applied 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” parameters reproduce the initial line strengths with the drms=4.7%. A list of 2684 experimental transitions of HDS is generated together with the presentation of their individual line strengths predicted on the basis of the obtained effective dipole moment parameters. An analogous analysis was fulfilled for the ν2 band of the HD34S isotopologue.

KW - HDS high resolution spectra

KW - Spectroscopic parameters

KW - ν band: line positions and strengths

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U2 - 10.1016/j.jqsrt.2018.12.040

DO - 10.1016/j.jqsrt.2018.12.040

M3 - Article

VL - 225

SP - 286

EP - 300

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -