First high resolution study of the interacting v(8) + v(10), v(6) + v(10), v(6) + v(7) bands and re-analysis of the v(7) + v(8) band of trans-d(2)-ethylene

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Abstract

The high resolution IR spectrum of the trans-d2-ethylene (trans-C2H2D2) was recorded and analyzed in the region of 1450–1750 cm−1, where the strongly interacting bands ν810, ν78, ν610, and ν67 are located (one of the sub-bands of the hybrid ν78 band was analyzed earlier; transitions belonging to the three other bands 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 resonance interactions both between four studied vibrational states, (v8=v10=1), (v7=v8=1), (v6=v10=1), (v6=v7=1), and between the state (v6=v7=1) and the additional fifth state (v4=v8=1) which is considered in the present study as a “dark” state. About 2360, 2150, 2020 and 1700 transitions with the values Jmax./Kamax.=31/21, 44/18, 28/18 and 27/17 were assigned to the bands ν810, ν78, ν610, and ν67, respectively. A set of 103 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 550, 656, 441 and 435 upper ro-vibrational energies of the vibrational states (v8=v10=1), (v7=v8=1), (v6=v10=1) and (v6=v7=1) used in the fit with a drms=2.5×10−4cm−1, which is close to the value of the mean experimental uncertainty (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account).

Original languageEnglish
Pages (from-to)76-88
Number of pages13
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume184
DOIs
Publication statusPublished - 1 Nov 2016

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Hamiltonians
Electron transitions
Electron energy levels
ethylene
high resolution
vibrational states
energy levels
Uncertainty
energy
interactions

Keywords

  • Trans-C2H2D2 ethylene
  • High-resolution spectra
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

@article{9d065f7f868c4b479c26cd71db614240,
title = "First high resolution study of the interacting v(8) + v(10), v(6) + v(10), v(6) + v(7) bands and re-analysis of the v(7) + v(8) band of trans-d(2)-ethylene",
abstract = "The high resolution IR spectrum of the trans-d2-ethylene (trans-C2H2D2) was recorded and analyzed in the region of 1450–1750 cm−1, where the strongly interacting bands ν8+ν10, ν7+ν8, ν6+ν10, and ν6+ν7 are located (one of the sub-bands of the hybrid ν7+ν8 band was analyzed earlier; transitions belonging to the three other bands 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 resonance interactions both between four studied vibrational states, (v8=v10=1), (v7=v8=1), (v6=v10=1), (v6=v7=1), and between the state (v6=v7=1) and the additional fifth state (v4=v8=1) which is considered in the present study as a “dark” state. About 2360, 2150, 2020 and 1700 transitions with the values Jmax./Kamax.=31/21, 44/18, 28/18 and 27/17 were assigned to the bands ν8+ν10, ν7+ν8, ν6+ν10, and ν6+ν7, respectively. A set of 103 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 550, 656, 441 and 435 upper ro-vibrational energies of the vibrational states (v8=v10=1), (v7=v8=1), (v6=v10=1) and (v6=v7=1) used in the fit with a drms=2.5×10−4cm−1, which is close to the value of the mean experimental uncertainty (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account).",
keywords = "Trans-C2H2D2 ethylene, High-resolution spectra, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Aslapovskaya, {Yu S.} and Ziatkova, {A. G.} and C. Sydow and C. Maul and S. Bauerecker",
year = "2016",
month = "11",
day = "1",
doi = "10.1016/j.jqsrt.2016.06.040",
language = "English",
volume = "184",
pages = "76--88",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - First high resolution study of the interacting v(8) + v(10), v(6) + v(10), v(6) + v(7) bands and re-analysis of the v(7) + v(8) band of trans-d(2)-ethylene

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Aslapovskaya, Yu S.

AU - Ziatkova, A. G.

AU - Sydow, C.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2016/11/1

Y1 - 2016/11/1

N2 - The high resolution IR spectrum of the trans-d2-ethylene (trans-C2H2D2) was recorded and analyzed in the region of 1450–1750 cm−1, where the strongly interacting bands ν8+ν10, ν7+ν8, ν6+ν10, and ν6+ν7 are located (one of the sub-bands of the hybrid ν7+ν8 band was analyzed earlier; transitions belonging to the three other bands 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 resonance interactions both between four studied vibrational states, (v8=v10=1), (v7=v8=1), (v6=v10=1), (v6=v7=1), and between the state (v6=v7=1) and the additional fifth state (v4=v8=1) which is considered in the present study as a “dark” state. About 2360, 2150, 2020 and 1700 transitions with the values Jmax./Kamax.=31/21, 44/18, 28/18 and 27/17 were assigned to the bands ν8+ν10, ν7+ν8, ν6+ν10, and ν6+ν7, respectively. A set of 103 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 550, 656, 441 and 435 upper ro-vibrational energies of the vibrational states (v8=v10=1), (v7=v8=1), (v6=v10=1) and (v6=v7=1) used in the fit with a drms=2.5×10−4cm−1, which is close to the value of the mean experimental uncertainty (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account).

AB - The high resolution IR spectrum of the trans-d2-ethylene (trans-C2H2D2) was recorded and analyzed in the region of 1450–1750 cm−1, where the strongly interacting bands ν8+ν10, ν7+ν8, ν6+ν10, and ν6+ν7 are located (one of the sub-bands of the hybrid ν7+ν8 band was analyzed earlier; transitions belonging to the three other bands 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 resonance interactions both between four studied vibrational states, (v8=v10=1), (v7=v8=1), (v6=v10=1), (v6=v7=1), and between the state (v6=v7=1) and the additional fifth state (v4=v8=1) which is considered in the present study as a “dark” state. About 2360, 2150, 2020 and 1700 transitions with the values Jmax./Kamax.=31/21, 44/18, 28/18 and 27/17 were assigned to the bands ν8+ν10, ν7+ν8, ν6+ν10, and ν6+ν7, respectively. A set of 103 spectroscopic parameters was obtained from a weighted least square fit procedure. This reproduces the 550, 656, 441 and 435 upper ro-vibrational energies of the vibrational states (v8=v10=1), (v7=v8=1), (v6=v10=1) and (v6=v7=1) used in the fit with a drms=2.5×10−4cm−1, which is close to the value of the mean experimental uncertainty (in this case, only upper energies obtained from unblended and nonsaturated transitions of relatively high intensities have been taken into account).

KW - Trans-C2H2D2 ethylene

KW - High-resolution spectra

KW - Spectroscopic parameters

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U2 - 10.1016/j.jqsrt.2016.06.040

DO - 10.1016/j.jqsrt.2016.06.040

M3 - Article

VL - 184

SP - 76

EP - 88

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -