Study of the high resolution FTIR spectrum of CH2=CD2 in the region of 1300-1450 cm(-1): The v(12)(A(1)) and 2v(10)(A(1)) bands: The ν12(A1) and 2ν10(A1) bands

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, K. B. Berezkin, Elena Alexandrovna Sklyarova, C. Maul, K. H. Gericke, S. Bauerecker

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Abstract

The high resolution IR spectrum of the CH2CD2 ethylene isotopomer was recorded and analyzed in the region of 1300-1450cm-1, where the strongly interacting bands ν12(A1) and 2ν10(A1) are located (the band ν12 was analyzed earlier; transitions belonging to the 2ν10 band were experimentally recorded and assigned in the present study for the first time). For description of the upper ro-vibrational energy levels obtained from the assigned transitions, the used Hamiltonian takes into account not only resonance interactions between the states (v12=1) and (v10=2), but interactions of the mentioned pair of vibrational states with the states (v7=v10=1) and (v7=2), as well. More than 1960 and 320 transitions with the values Jmax.=48/Kamax.=20 and Jmax.=24/Kamax.=7 were assigned to the bands ν12(A1) and 2ν10(A1), respectively. A set of 59 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 959 and 180 initial upper ro-vibrational energies of the vibrational states ν12(A1) and 2ν10(A1) used in the fit with a drms=1.7×10-4cm-1 and drms=2.2×10-4cm-1, respectively (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account). The ground state rotational parameters were improved in comparison with the parameters known in the literature.

Original languageEnglish
Pages (from-to)180-196
Number of pages17
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume161
DOIs
Publication statusPublished - 1 Aug 2015

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Hamiltonians
Electron transitions
Electron energy levels
Ground state
high resolution
vibrational states
ethylene
energy levels
interactions
ground state
energy

Keywords

  • CH2=CD2
  • High-resolution spectra
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

@article{619cfbb257f846cbbc69e0c1a22a16c8,
title = "Study of the high resolution FTIR spectrum of CH2=CD2 in the region of 1300-1450 cm(-1): The v(12)(A(1)) and 2v(10)(A(1)) bands: The ν12(A1) and 2ν10(A1) bands",
abstract = "The high resolution IR spectrum of the CH2CD2 ethylene isotopomer was recorded and analyzed in the region of 1300-1450cm-1, where the strongly interacting bands ν12(A1) and 2ν10(A1) are located (the band ν12 was analyzed earlier; transitions belonging to the 2ν10 band were experimentally recorded and assigned in the present study for the first time). For description of the upper ro-vibrational energy levels obtained from the assigned transitions, the used Hamiltonian takes into account not only resonance interactions between the states (v12=1) and (v10=2), but interactions of the mentioned pair of vibrational states with the states (v7=v10=1) and (v7=2), as well. More than 1960 and 320 transitions with the values Jmax.=48/Kamax.=20 and Jmax.=24/Kamax.=7 were assigned to the bands ν12(A1) and 2ν10(A1), respectively. A set of 59 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 959 and 180 initial upper ro-vibrational energies of the vibrational states ν12(A1) and 2ν10(A1) used in the fit with a drms=1.7×10-4cm-1 and drms=2.2×10-4cm-1, respectively (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account). The ground state rotational parameters were improved in comparison with the parameters known in the literature.",
keywords = "CH2=CD2, High-resolution spectra, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Berezkin, {K. B.} and Sklyarova, {Elena Alexandrovna} and C. Maul and Gericke, {K. H.} and S. Bauerecker",
year = "2015",
month = "8",
day = "1",
doi = "10.1016/j.jqsrt.2015.04.008",
language = "English",
volume = "161",
pages = "180--196",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Study of the high resolution FTIR spectrum of CH2=CD2 in the region of 1300-1450 cm(-1): The v(12)(A(1)) and 2v(10)(A(1)) bands

T2 - The ν12(A1) and 2ν10(A1) bands

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Berezkin, K. B.

AU - Sklyarova, Elena Alexandrovna

AU - Maul, C.

AU - Gericke, K. H.

AU - Bauerecker, S.

PY - 2015/8/1

Y1 - 2015/8/1

N2 - The high resolution IR spectrum of the CH2CD2 ethylene isotopomer was recorded and analyzed in the region of 1300-1450cm-1, where the strongly interacting bands ν12(A1) and 2ν10(A1) are located (the band ν12 was analyzed earlier; transitions belonging to the 2ν10 band were experimentally recorded and assigned in the present study for the first time). For description of the upper ro-vibrational energy levels obtained from the assigned transitions, the used Hamiltonian takes into account not only resonance interactions between the states (v12=1) and (v10=2), but interactions of the mentioned pair of vibrational states with the states (v7=v10=1) and (v7=2), as well. More than 1960 and 320 transitions with the values Jmax.=48/Kamax.=20 and Jmax.=24/Kamax.=7 were assigned to the bands ν12(A1) and 2ν10(A1), respectively. A set of 59 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 959 and 180 initial upper ro-vibrational energies of the vibrational states ν12(A1) and 2ν10(A1) used in the fit with a drms=1.7×10-4cm-1 and drms=2.2×10-4cm-1, respectively (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account). The ground state rotational parameters were improved in comparison with the parameters known in the literature.

AB - The high resolution IR spectrum of the CH2CD2 ethylene isotopomer was recorded and analyzed in the region of 1300-1450cm-1, where the strongly interacting bands ν12(A1) and 2ν10(A1) are located (the band ν12 was analyzed earlier; transitions belonging to the 2ν10 band were experimentally recorded and assigned in the present study for the first time). For description of the upper ro-vibrational energy levels obtained from the assigned transitions, the used Hamiltonian takes into account not only resonance interactions between the states (v12=1) and (v10=2), but interactions of the mentioned pair of vibrational states with the states (v7=v10=1) and (v7=2), as well. More than 1960 and 320 transitions with the values Jmax.=48/Kamax.=20 and Jmax.=24/Kamax.=7 were assigned to the bands ν12(A1) and 2ν10(A1), respectively. A set of 59 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 959 and 180 initial upper ro-vibrational energies of the vibrational states ν12(A1) and 2ν10(A1) used in the fit with a drms=1.7×10-4cm-1 and drms=2.2×10-4cm-1, respectively (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account). The ground state rotational parameters were improved in comparison with the parameters known in the literature.

KW - CH2=CD2

KW - High-resolution spectra

KW - Spectroscopic parameters

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U2 - 10.1016/j.jqsrt.2015.04.008

DO - 10.1016/j.jqsrt.2015.04.008

M3 - Article

AN - SCOPUS:84928998629

VL - 161

SP - 180

EP - 196

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -