High resolution study of strongly interacting ν3(F2)/ν1(A1) bands of MSiH4 (M=28,29,30)

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Abstract

The high resolution (0.0021–0.0025 cm−1) infrared spectra of SiH4 in natural abundance (92.23 % of 28SiH4, 4.68 % of 29SiH4, and 3.09 % of 30SiH4) were measured in the 2000–2350 cm−1 region with a Bruker IFS 120HR Fourier transform spectrometer. The 2584 transitions with Jmax. = 27 were assigned to the ν3 and ν1 bands of 28SiH4. Rotational, centrifugal distortion, tetrahedral splitting, and resonance interaction parameters for the (0010) and (1000) vibrational states were determined from the weighted fit of experimental line positions. The obtained set of parameters reproduces the initial experimental data with an accuracy close to experimental uncertainties. The results of analogous analyses of the 29SiH4 and 30SiH4 isotopologues (the numbers of assigned transitions are 811 and 986 both with Jmax. = 23) were made with the use of the isotopic substitution theory relations. A further analysis of 379 experimental ro-vibrational lines of the ν3 and ν1 bands of 28SiH4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. The 4 effective dipole moment parameters were obtained on that basis from the weighted fit, which reproduce the initial experimental intensities of the 379 initial lines (both strong and weak) with the drms=7.6% (the 148 strongest lines are reproduced with the drms=5.0%). Analogous analyses were made for the two other isotopic species, 29SiH4, and 30SiH4. A detailed line list of transitions in the region of 2000–2350 cm−1 is presented. The half-widths of 100 ro-vibrational lines (Jup. max.=17) are analyzed from the multi-spectrum fit, and self-pressure broadening coefficients are determined.

Original languageEnglish
Pages (from-to)35-44
Number of pages10
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume201
DOIs
Publication statusPublished - 1 Nov 2017

Fingerprint

Dipole moment
Spectrometers
Fourier transforms
Substitution reactions
Infrared radiation
high resolution
pressure broadening
vibrational states
lists
line shape
dipole moments
infrared spectra
spectrometers
substitutes
coefficients
profiles
Uncertainty
interactions

Keywords

  • High resolution spectrum of SiH
  • Line positions, intensities and half-widths
  • The ν/ν interacting states of SiH

ASJC Scopus subject areas

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

Cite this

@article{012220b2d3814a23a7b7ace6d60c9ce5,
title = "High resolution study of strongly interacting ν3(F2)/ν1(A1) bands of MSiH4 (M=28,29,30)",
abstract = "The high resolution (0.0021–0.0025 cm−1) infrared spectra of SiH4 in natural abundance (92.23 {\%} of 28SiH4, 4.68 {\%} of 29SiH4, and 3.09 {\%} of 30SiH4) were measured in the 2000–2350 cm−1 region with a Bruker IFS 120HR Fourier transform spectrometer. The 2584 transitions with Jmax. = 27 were assigned to the ν3 and ν1 bands of 28SiH4. Rotational, centrifugal distortion, tetrahedral splitting, and resonance interaction parameters for the (0010) and (1000) vibrational states were determined from the weighted fit of experimental line positions. The obtained set of parameters reproduces the initial experimental data with an accuracy close to experimental uncertainties. The results of analogous analyses of the 29SiH4 and 30SiH4 isotopologues (the numbers of assigned transitions are 811 and 986 both with Jmax. = 23) were made with the use of the isotopic substitution theory relations. A further analysis of 379 experimental ro-vibrational lines of the ν3 and ν1 bands of 28SiH4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. The 4 effective dipole moment parameters were obtained on that basis from the weighted fit, which reproduce the initial experimental intensities of the 379 initial lines (both strong and weak) with the drms=7.6{\%} (the 148 strongest lines are reproduced with the drms=5.0{\%}). Analogous analyses were made for the two other isotopic species, 29SiH4, and 30SiH4. A detailed line list of transitions in the region of 2000–2350 cm−1 is presented. The half-widths of 100 ro-vibrational lines (Jup. max.=17) are analyzed from the multi-spectrum fit, and self-pressure broadening coefficients are determined.",
keywords = "High resolution spectrum of SiH, Line positions, intensities and half-widths, The ν/ν interacting states of SiH",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Raspopova, {N. I.} and Fomchenko, {A. L.} and C. Sydow and S. Bauerecker",
year = "2017",
month = "11",
day = "1",
doi = "10.1016/j.jqsrt.2017.06.027",
language = "English",
volume = "201",
pages = "35--44",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - High resolution study of strongly interacting ν3(F2)/ν1(A1) bands of MSiH4 (M=28,29,30)

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Raspopova, N. I.

AU - Fomchenko, A. L.

AU - Sydow, C.

AU - Bauerecker, S.

PY - 2017/11/1

Y1 - 2017/11/1

N2 - The high resolution (0.0021–0.0025 cm−1) infrared spectra of SiH4 in natural abundance (92.23 % of 28SiH4, 4.68 % of 29SiH4, and 3.09 % of 30SiH4) were measured in the 2000–2350 cm−1 region with a Bruker IFS 120HR Fourier transform spectrometer. The 2584 transitions with Jmax. = 27 were assigned to the ν3 and ν1 bands of 28SiH4. Rotational, centrifugal distortion, tetrahedral splitting, and resonance interaction parameters for the (0010) and (1000) vibrational states were determined from the weighted fit of experimental line positions. The obtained set of parameters reproduces the initial experimental data with an accuracy close to experimental uncertainties. The results of analogous analyses of the 29SiH4 and 30SiH4 isotopologues (the numbers of assigned transitions are 811 and 986 both with Jmax. = 23) were made with the use of the isotopic substitution theory relations. A further analysis of 379 experimental ro-vibrational lines of the ν3 and ν1 bands of 28SiH4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. The 4 effective dipole moment parameters were obtained on that basis from the weighted fit, which reproduce the initial experimental intensities of the 379 initial lines (both strong and weak) with the drms=7.6% (the 148 strongest lines are reproduced with the drms=5.0%). Analogous analyses were made for the two other isotopic species, 29SiH4, and 30SiH4. A detailed line list of transitions in the region of 2000–2350 cm−1 is presented. The half-widths of 100 ro-vibrational lines (Jup. max.=17) are analyzed from the multi-spectrum fit, and self-pressure broadening coefficients are determined.

AB - The high resolution (0.0021–0.0025 cm−1) infrared spectra of SiH4 in natural abundance (92.23 % of 28SiH4, 4.68 % of 29SiH4, and 3.09 % of 30SiH4) were measured in the 2000–2350 cm−1 region with a Bruker IFS 120HR Fourier transform spectrometer. The 2584 transitions with Jmax. = 27 were assigned to the ν3 and ν1 bands of 28SiH4. Rotational, centrifugal distortion, tetrahedral splitting, and resonance interaction parameters for the (0010) and (1000) vibrational states were determined from the weighted fit of experimental line positions. The obtained set of parameters reproduces the initial experimental data with an accuracy close to experimental uncertainties. The results of analogous analyses of the 29SiH4 and 30SiH4 isotopologues (the numbers of assigned transitions are 811 and 986 both with Jmax. = 23) were made with the use of the isotopic substitution theory relations. A further analysis of 379 experimental ro-vibrational lines of the ν3 and ν1 bands of 28SiH4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. The 4 effective dipole moment parameters were obtained on that basis from the weighted fit, which reproduce the initial experimental intensities of the 379 initial lines (both strong and weak) with the drms=7.6% (the 148 strongest lines are reproduced with the drms=5.0%). Analogous analyses were made for the two other isotopic species, 29SiH4, and 30SiH4. A detailed line list of transitions in the region of 2000–2350 cm−1 is presented. The half-widths of 100 ro-vibrational lines (Jup. max.=17) are analyzed from the multi-spectrum fit, and self-pressure broadening coefficients are determined.

KW - High resolution spectrum of SiH

KW - Line positions, intensities and half-widths

KW - The ν/ν interacting states of SiH

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U2 - 10.1016/j.jqsrt.2017.06.027

DO - 10.1016/j.jqsrt.2017.06.027

M3 - Article

VL - 201

SP - 35

EP - 44

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -