First high–resolution analysis of the dyad of 28SiD4

Appearance of the isotopic substitution properties in the XY4 (Td-symmetry) molecules

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, N. I. Raspopova, G. Ch Mellau, C. Sydow, S. Bauerecker

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4 Citations (Scopus)

Abstract

The high resolution infrared spectra of SiD4 were recorded with a Bruker IFS125 HR Fourier transform interferometer and analysed in the region of 550–800 cm−1 where the bands ν4 and ν2 are located. The 7279 transitions with Jmax. = 37 were assigned to the ν42 dyad (the ν2 band is forbidden in absorption for symmetry reasons, and its transitions can appear in the spectrum only because of Coriolis interaction with the allowed ν4 band). The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between the (0001) and (0100) vibrational states into account. The initial values of the Hamiltonian parameters have been predicted on the basis of the isotopic substitution theory. As the result, a set of 33 fitted parameters was obtained which reproduces the initial 7279 ro–vibrational transitions with the drms=1.85×10−4 cm−1 which corresponds to the experimental uncertainties.

Original languageEnglish
Pages (from-to)115-124
Number of pages10
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume218
DOIs
Publication statusPublished - 1 Oct 2018

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Hamiltonians
Substitution reactions
substitutes
Molecules
symmetry
Interferometers
molecules
Fourier transforms
Infrared radiation
forbidden bands
vibrational states
infrared spectra
interferometers
interactions
high resolution
Uncertainty

ASJC Scopus subject areas

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

Cite this

@article{27ec17e0f1a24f1d929db073483c5afb,
title = "First high–resolution analysis of the dyad of 28SiD4: Appearance of the isotopic substitution properties in the XY4 (Td-symmetry) molecules",
abstract = "The high resolution infrared spectra of SiD4 were recorded with a Bruker IFS125 HR Fourier transform interferometer and analysed in the region of 550–800 cm−1 where the bands ν4 and ν2 are located. The 7279 transitions with Jmax. = 37 were assigned to the ν4/ν2 dyad (the ν2 band is forbidden in absorption for symmetry reasons, and its transitions can appear in the spectrum only because of Coriolis interaction with the allowed ν4 band). The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between the (0001) and (0100) vibrational states into account. The initial values of the Hamiltonian parameters have been predicted on the basis of the isotopic substitution theory. As the result, a set of 33 fitted parameters was obtained which reproduces the initial 7279 ro–vibrational transitions with the drms=1.85×10−4 cm−1 which corresponds to the experimental uncertainties.",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Raspopova, {N. I.} and Mellau, {G. Ch} and C. Sydow and S. Bauerecker",
year = "2018",
month = "10",
day = "1",
doi = "10.1016/j.jqsrt.2018.07.005",
language = "English",
volume = "218",
pages = "115--124",
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 dyad of 28SiD4

T2 - Appearance of the isotopic substitution properties in the XY4 (Td-symmetry) molecules

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Raspopova, N. I.

AU - Mellau, G. Ch

AU - Sydow, C.

AU - Bauerecker, S.

PY - 2018/10/1

Y1 - 2018/10/1

N2 - The high resolution infrared spectra of SiD4 were recorded with a Bruker IFS125 HR Fourier transform interferometer and analysed in the region of 550–800 cm−1 where the bands ν4 and ν2 are located. The 7279 transitions with Jmax. = 37 were assigned to the ν4/ν2 dyad (the ν2 band is forbidden in absorption for symmetry reasons, and its transitions can appear in the spectrum only because of Coriolis interaction with the allowed ν4 band). The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between the (0001) and (0100) vibrational states into account. The initial values of the Hamiltonian parameters have been predicted on the basis of the isotopic substitution theory. As the result, a set of 33 fitted parameters was obtained which reproduces the initial 7279 ro–vibrational transitions with the drms=1.85×10−4 cm−1 which corresponds to the experimental uncertainties.

AB - The high resolution infrared spectra of SiD4 were recorded with a Bruker IFS125 HR Fourier transform interferometer and analysed in the region of 550–800 cm−1 where the bands ν4 and ν2 are located. The 7279 transitions with Jmax. = 37 were assigned to the ν4/ν2 dyad (the ν2 band is forbidden in absorption for symmetry reasons, and its transitions can appear in the spectrum only because of Coriolis interaction with the allowed ν4 band). The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes the resonance interactions between the (0001) and (0100) vibrational states into account. The initial values of the Hamiltonian parameters have been predicted on the basis of the isotopic substitution theory. As the result, a set of 33 fitted parameters was obtained which reproduces the initial 7279 ro–vibrational transitions with the drms=1.85×10−4 cm−1 which corresponds to the experimental uncertainties.

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DO - 10.1016/j.jqsrt.2018.07.005

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EP - 124

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

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