First high–resolution analysis of the fundamental bands of 29SiD4 and 30SiD4

Line positions and strengths

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1 Citation (Scopus)

Abstract

The high resolution infrared spectra of MSiD4 (M=29,30) in natural abundance of MSi (92.23% of 28Si, 4.68% of 29Si, and 3.09% of 30Si) were measured with Bruker IFS120 and IFS125 HR Fourier transform infrared spectrometers at an optical resolution between 0.00096 and 0.0025 cm−1 and analyzed in the regions of 550–800 cm−1 and 1480–1700 cm−1 where the four fundamental bands, ν2, ν4, ν1 and ν3 are located. The 840/1641/888 transitions with Jmax. = 31/31/35 and 638/1356/838 transitions with Jmax. = 31/31/34 were assigned to the ν2, ν4, and ν3 bands of 29SiD4 and 30SiD4. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between pairs of vibrational states (0010, F2)/(1000, A1) and (0001, F2)/(0100, E) into account. As a result, sets of 22 and 22 fitted parameters were obtained which reproduces the initial 3369 and 2832 ro–vibrational transitions of the 29SiD4 and 30SiD4 isotopologues with the drms=2.34×10−4 cm−1 and 2.67×10−4 cm−1, respectively. An analysis of 221 and 134 experimental ro–vibrational lines of the ν42 and ν3 bands of 29SiD4 and 30SiD4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. A detailed line list of transitions of 29SiD4 and 30SiD4 in the studied regions is generated.

Original languageEnglish
Pages (from-to)125-155
Number of pages31
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume225
DOIs
Publication statusPublished - 1 Mar 2019

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Hamiltonians
Infrared spectrometers
Fourier transforms
Infrared radiation
infrared spectrometers
vibrational states
lists
line shape
infrared spectra
high resolution
profiles
interactions

Keywords

  • energies and spectroscopic parameters
  • line positions and line strengths
  • v, v, and v bands of SiD and SiD

ASJC Scopus subject areas

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

Cite this

@article{777c530b410f49e8a5eadada9393c9c4,
title = "First high–resolution analysis of the fundamental bands of 29SiD4 and 30SiD4: Line positions and strengths",
abstract = "The high resolution infrared spectra of MSiD4 (M=29,30) in natural abundance of MSi (92.23{\%} of 28Si, 4.68{\%} of 29Si, and 3.09{\%} of 30Si) were measured with Bruker IFS120 and IFS125 HR Fourier transform infrared spectrometers at an optical resolution between 0.00096 and 0.0025 cm−1 and analyzed in the regions of 550–800 cm−1 and 1480–1700 cm−1 where the four fundamental bands, ν2, ν4, ν1 and ν3 are located. The 840/1641/888 transitions with Jmax. = 31/31/35 and 638/1356/838 transitions with Jmax. = 31/31/34 were assigned to the ν2, ν4, and ν3 bands of 29SiD4 and 30SiD4. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between pairs of vibrational states (0010, F2)/(1000, A1) and (0001, F2)/(0100, E) into account. As a result, sets of 22 and 22 fitted parameters were obtained which reproduces the initial 3369 and 2832 ro–vibrational transitions of the 29SiD4 and 30SiD4 isotopologues with the drms=2.34×10−4 cm−1 and 2.67×10−4 cm−1, respectively. An analysis of 221 and 134 experimental ro–vibrational lines of the ν4/ν2 and ν3 bands of 29SiD4 and 30SiD4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. A detailed line list of transitions of 29SiD4 and 30SiD4 in the studied regions is generated.",
keywords = "energies and spectroscopic parameters, line positions and line strengths, v, v, and v bands of SiD and SiD",
author = "C. Sydow and Gromova, {O. V.} and Bekhtereva, {E. S.} and Raspopova, {N. I.} and Belova, {A. S.} and S. Bauerecker and Ulenikov, {O. N.}",
year = "2019",
month = "3",
day = "1",
doi = "10.1016/j.jqsrt.2018.12.026",
language = "English",
volume = "225",
pages = "125--155",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

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TY - JOUR

T1 - First high–resolution analysis of the fundamental bands of 29SiD4 and 30SiD4

T2 - Line positions and strengths

AU - Sydow, C.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Raspopova, N. I.

AU - Belova, A. S.

AU - Bauerecker, S.

AU - Ulenikov, O. N.

PY - 2019/3/1

Y1 - 2019/3/1

N2 - The high resolution infrared spectra of MSiD4 (M=29,30) in natural abundance of MSi (92.23% of 28Si, 4.68% of 29Si, and 3.09% of 30Si) were measured with Bruker IFS120 and IFS125 HR Fourier transform infrared spectrometers at an optical resolution between 0.00096 and 0.0025 cm−1 and analyzed in the regions of 550–800 cm−1 and 1480–1700 cm−1 where the four fundamental bands, ν2, ν4, ν1 and ν3 are located. The 840/1641/888 transitions with Jmax. = 31/31/35 and 638/1356/838 transitions with Jmax. = 31/31/34 were assigned to the ν2, ν4, and ν3 bands of 29SiD4 and 30SiD4. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between pairs of vibrational states (0010, F2)/(1000, A1) and (0001, F2)/(0100, E) into account. As a result, sets of 22 and 22 fitted parameters were obtained which reproduces the initial 3369 and 2832 ro–vibrational transitions of the 29SiD4 and 30SiD4 isotopologues with the drms=2.34×10−4 cm−1 and 2.67×10−4 cm−1, respectively. An analysis of 221 and 134 experimental ro–vibrational lines of the ν4/ν2 and ν3 bands of 29SiD4 and 30SiD4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. A detailed line list of transitions of 29SiD4 and 30SiD4 in the studied regions is generated.

AB - The high resolution infrared spectra of MSiD4 (M=29,30) in natural abundance of MSi (92.23% of 28Si, 4.68% of 29Si, and 3.09% of 30Si) were measured with Bruker IFS120 and IFS125 HR Fourier transform infrared spectrometers at an optical resolution between 0.00096 and 0.0025 cm−1 and analyzed in the regions of 550–800 cm−1 and 1480–1700 cm−1 where the four fundamental bands, ν2, ν4, ν1 and ν3 are located. The 840/1641/888 transitions with Jmax. = 31/31/35 and 638/1356/838 transitions with Jmax. = 31/31/34 were assigned to the ν2, ν4, and ν3 bands of 29SiD4 and 30SiD4. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between pairs of vibrational states (0010, F2)/(1000, A1) and (0001, F2)/(0100, E) into account. As a result, sets of 22 and 22 fitted parameters were obtained which reproduces the initial 3369 and 2832 ro–vibrational transitions of the 29SiD4 and 30SiD4 isotopologues with the drms=2.34×10−4 cm−1 and 2.67×10−4 cm−1, respectively. An analysis of 221 and 134 experimental ro–vibrational lines of the ν4/ν2 and ν3 bands of 29SiD4 and 30SiD4 was performed using the Hartmann–Tran profile to simulate the measured line shape and to determine experimental line intensities. A detailed line list of transitions of 29SiD4 and 30SiD4 in the studied regions is generated.

KW - energies and spectroscopic parameters

KW - line positions and line strengths

KW - v, v, and v bands of SiD and SiD

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U2 - 10.1016/j.jqsrt.2018.12.026

DO - 10.1016/j.jqsrt.2018.12.026

M3 - Article

VL - 225

SP - 125

EP - 155

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -