Re-analysis of the high resolution FTIR spectrum of C2H2D2-cis in the region of 1280-1400 cm(-1)

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, I. A. Konov, Yulia Chertavskikh, C. Maul, S. Bauerecker

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

The high-resolution infrared spectrum of C2H2D2-cis ethylene was analyzed in the region of 1280-1400 cm-1, where the strong ν12 band is located. More than 2000 transitions (about three times more than it was made in the preceding studies) were assigned with the maximum values of the upper quantum numbers Jmax.=45 and Kamax.=19 (Jmax.=31 and Kamax.=13 in the preceding studies). For the first time, 22 transitions belonging to the 2ν10 weak band were assigned. For description of the assigned transitions (upper ro-vibrational energy levels), the Hamiltonian model was used which takes into account resonance interactions between the vibrational state (v12=1) and three other closely located states: (v10=2), (v8=v10=1), and (v3=1). A set of 43 spectroscopic parameters obtained from a weighted least square fit reproduces the initial experimental data (817 upper energy values and more than 2000 transitions) with the drms=2.2×10-4cm-1 which is close to experimental uncertainties and considerably better than in prior studies. Ground state rotational and centrifugal distortion parameters were improved on the basis of the IR experimental data of the present study and microwave data from the earlier literature.

Original languageEnglish
Pages (from-to)69-82
Number of pages14
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume170
DOIs
Publication statusPublished - 1 Feb 2016

Fingerprint

Hamiltonians
Electron transitions
Electron energy levels
Ground state
Microwaves
Infrared radiation
high resolution
vibrational states
quantum numbers
ethylene
infrared spectra
energy levels
microwaves
ground state
Uncertainty
interactions
energy

Keywords

  • C2H2D2-cis ethylene
  • Ground vibrational state
  • High-resolution spectra
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

@article{44cd04a6abd540a99b9964bdac1dbc29,
title = "Re-analysis of the high resolution FTIR spectrum of C2H2D2-cis in the region of 1280-1400 cm(-1)",
abstract = "The high-resolution infrared spectrum of C2H2D2-cis ethylene was analyzed in the region of 1280-1400 cm-1, where the strong ν12 band is located. More than 2000 transitions (about three times more than it was made in the preceding studies) were assigned with the maximum values of the upper quantum numbers Jmax.=45 and Kamax.=19 (Jmax.=31 and Kamax.=13 in the preceding studies). For the first time, 22 transitions belonging to the 2ν10 weak band were assigned. For description of the assigned transitions (upper ro-vibrational energy levels), the Hamiltonian model was used which takes into account resonance interactions between the vibrational state (v12=1) and three other closely located states: (v10=2), (v8=v10=1), and (v3=1). A set of 43 spectroscopic parameters obtained from a weighted least square fit reproduces the initial experimental data (817 upper energy values and more than 2000 transitions) with the drms=2.2×10-4cm-1 which is close to experimental uncertainties and considerably better than in prior studies. Ground state rotational and centrifugal distortion parameters were improved on the basis of the IR experimental data of the present study and microwave data from the earlier literature.",
keywords = "C2H2D2-cis ethylene, Ground vibrational state, High-resolution spectra, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Konov, {I. A.} and Yulia Chertavskikh and C. Maul and S. Bauerecker",
year = "2016",
month = "2",
day = "1",
doi = "10.1016/j.jqsrt.2015.10.011",
language = "English",
volume = "170",
pages = "69--82",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Re-analysis of the high resolution FTIR spectrum of C2H2D2-cis in the region of 1280-1400 cm(-1)

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Konov, I. A.

AU - Chertavskikh, Yulia

AU - Maul, C.

AU - Bauerecker, S.

PY - 2016/2/1

Y1 - 2016/2/1

N2 - The high-resolution infrared spectrum of C2H2D2-cis ethylene was analyzed in the region of 1280-1400 cm-1, where the strong ν12 band is located. More than 2000 transitions (about three times more than it was made in the preceding studies) were assigned with the maximum values of the upper quantum numbers Jmax.=45 and Kamax.=19 (Jmax.=31 and Kamax.=13 in the preceding studies). For the first time, 22 transitions belonging to the 2ν10 weak band were assigned. For description of the assigned transitions (upper ro-vibrational energy levels), the Hamiltonian model was used which takes into account resonance interactions between the vibrational state (v12=1) and three other closely located states: (v10=2), (v8=v10=1), and (v3=1). A set of 43 spectroscopic parameters obtained from a weighted least square fit reproduces the initial experimental data (817 upper energy values and more than 2000 transitions) with the drms=2.2×10-4cm-1 which is close to experimental uncertainties and considerably better than in prior studies. Ground state rotational and centrifugal distortion parameters were improved on the basis of the IR experimental data of the present study and microwave data from the earlier literature.

AB - The high-resolution infrared spectrum of C2H2D2-cis ethylene was analyzed in the region of 1280-1400 cm-1, where the strong ν12 band is located. More than 2000 transitions (about three times more than it was made in the preceding studies) were assigned with the maximum values of the upper quantum numbers Jmax.=45 and Kamax.=19 (Jmax.=31 and Kamax.=13 in the preceding studies). For the first time, 22 transitions belonging to the 2ν10 weak band were assigned. For description of the assigned transitions (upper ro-vibrational energy levels), the Hamiltonian model was used which takes into account resonance interactions between the vibrational state (v12=1) and three other closely located states: (v10=2), (v8=v10=1), and (v3=1). A set of 43 spectroscopic parameters obtained from a weighted least square fit reproduces the initial experimental data (817 upper energy values and more than 2000 transitions) with the drms=2.2×10-4cm-1 which is close to experimental uncertainties and considerably better than in prior studies. Ground state rotational and centrifugal distortion parameters were improved on the basis of the IR experimental data of the present study and microwave data from the earlier literature.

KW - C2H2D2-cis ethylene

KW - Ground vibrational state

KW - High-resolution spectra

KW - Spectroscopic parameters

UR - http://www.scopus.com/inward/record.url?scp=84947281548&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84947281548&partnerID=8YFLogxK

U2 - 10.1016/j.jqsrt.2015.10.011

DO - 10.1016/j.jqsrt.2015.10.011

M3 - Article

VL - 170

SP - 69

EP - 82

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -