First high-resolution analysis of the ν26 band of the C2H2D2-cis isotopologue of ethylene

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, Yu V. Konova, C. Sydow, S. Bauerecker

Research output: Contribution to journalArticle

Abstract

The high–resolution infrared spectrum of C2H2D2-cis was recorded for the first time and analyzed in the region of 2400–2700 cm−1, where the ν26 band is located. 1987 transitions were assigned to the ν26 band and 623 ro–vibrational energies of the (v2=v6=1) vibrational state were determined from the assigned transitions. Parameters of the effective Hamiltonian were determined from the weighted fit, which takes into account the studied (v2=v6=1) vibrational state and six other closely located (but experimentally here not visible) vibrational states of C2H2D2-cis. The obtained “experimental” energy values were used as initial information in the fit. Determined from the fit, a set of 95 parameters reproduces 623 initial energy values of the (v2=v6=1) vibrational state, representing 1987 line positions of the ν26 band with the drms=3.98×10−3 cm−1.

Original languageEnglish
Pages (from-to)99-109
Number of pages11
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume233
DOIs
Publication statusPublished - 1 Aug 2019

Fingerprint

Hamiltonians
vibrational states
ethylene
Infrared radiation
high resolution
energy
infrared spectra

Keywords

  • High-resolution spectra of CHD-cis
  • Ro-vibrational resonance interactions
  • Spectroscopic parameters
  • ν+ν band of CHD-cis ethylene

ASJC Scopus subject areas

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

Cite this

First high-resolution analysis of the ν26 band of the C2H2D2-cis isotopologue of ethylene. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Konova, Yu V.; Sydow, C.; Bauerecker, S.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 233, 01.08.2019, p. 99-109.

Research output: Contribution to journalArticle

@article{c29bc07221d74af297abdd3c67516cc8,
title = "First high-resolution analysis of the ν2+ν6 band of the C2H2D2-cis isotopologue of ethylene",
abstract = "The high–resolution infrared spectrum of C2H2D2-cis was recorded for the first time and analyzed in the region of 2400–2700 cm−1, where the ν2+ν6 band is located. 1987 transitions were assigned to the ν2+ν6 band and 623 ro–vibrational energies of the (v2=v6=1) vibrational state were determined from the assigned transitions. Parameters of the effective Hamiltonian were determined from the weighted fit, which takes into account the studied (v2=v6=1) vibrational state and six other closely located (but experimentally here not visible) vibrational states of C2H2D2-cis. The obtained “experimental” energy values were used as initial information in the fit. Determined from the fit, a set of 95 parameters reproduces 623 initial energy values of the (v2=v6=1) vibrational state, representing 1987 line positions of the ν2+ν6 band with the drms=3.98×10−3 cm−1.",
keywords = "High-resolution spectra of CHD-cis, Ro-vibrational resonance interactions, Spectroscopic parameters, ν+ν band of CHD-cis ethylene",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Konova, {Yu V.} and C. Sydow and S. Bauerecker",
year = "2019",
month = "8",
day = "1",
doi = "10.1016/j.jqsrt.2019.05.019",
language = "English",
volume = "233",
pages = "99--109",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - First high-resolution analysis of the ν2+ν6 band of the C2H2D2-cis isotopologue of ethylene

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Konova, Yu V.

AU - Sydow, C.

AU - Bauerecker, S.

PY - 2019/8/1

Y1 - 2019/8/1

N2 - The high–resolution infrared spectrum of C2H2D2-cis was recorded for the first time and analyzed in the region of 2400–2700 cm−1, where the ν2+ν6 band is located. 1987 transitions were assigned to the ν2+ν6 band and 623 ro–vibrational energies of the (v2=v6=1) vibrational state were determined from the assigned transitions. Parameters of the effective Hamiltonian were determined from the weighted fit, which takes into account the studied (v2=v6=1) vibrational state and six other closely located (but experimentally here not visible) vibrational states of C2H2D2-cis. The obtained “experimental” energy values were used as initial information in the fit. Determined from the fit, a set of 95 parameters reproduces 623 initial energy values of the (v2=v6=1) vibrational state, representing 1987 line positions of the ν2+ν6 band with the drms=3.98×10−3 cm−1.

AB - The high–resolution infrared spectrum of C2H2D2-cis was recorded for the first time and analyzed in the region of 2400–2700 cm−1, where the ν2+ν6 band is located. 1987 transitions were assigned to the ν2+ν6 band and 623 ro–vibrational energies of the (v2=v6=1) vibrational state were determined from the assigned transitions. Parameters of the effective Hamiltonian were determined from the weighted fit, which takes into account the studied (v2=v6=1) vibrational state and six other closely located (but experimentally here not visible) vibrational states of C2H2D2-cis. The obtained “experimental” energy values were used as initial information in the fit. Determined from the fit, a set of 95 parameters reproduces 623 initial energy values of the (v2=v6=1) vibrational state, representing 1987 line positions of the ν2+ν6 band with the drms=3.98×10−3 cm−1.

KW - High-resolution spectra of CHD-cis

KW - Ro-vibrational resonance interactions

KW - Spectroscopic parameters

KW - ν+ν band of CHD-cis ethylene

UR - http://www.scopus.com/inward/record.url?scp=85066084820&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85066084820&partnerID=8YFLogxK

U2 - 10.1016/j.jqsrt.2019.05.019

DO - 10.1016/j.jqsrt.2019.05.019

M3 - Article

VL - 233

SP - 99

EP - 109

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -