High resolution analysis of C2D4 in the region of 600-1150 cm(-1)

Abstract

High-accurate Fourier-transform infrared spectra of C₂D₄ were recorded and analyzed in the region of 600-1150 cm^-1 where the bands ν₇(B_1u), ν₁₀(B_2u), ν₁₂(B_3u) are located as well as the ν₄(A_u) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν₁₂ and ν₇ absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 "experimental" ro-vibrational energy values with the d_rms=2.1×10^-4cm^-1.

Original language	English
Pages (from-to)	55-70
Number of pages	16
Journal	Journal of Quantitative Spectroscopy and Radiative Transfer
Volume	182
DOIs	https://doi.org/10.1016/j.jqsrt.2016.04.026
Publication status	Published - 1 Oct 2016

Keywords

C2D4 ethylene
Ground vibrational state
High-resolution spectra
Spectroscopic parameters

ASJC Scopus subject areas

Spectroscopy
Atomic and Molecular Physics, and Optics
Radiation

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10.1016/j.jqsrt.2016.04.026

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@article{e8a62e22bd854a8984e18bc391b4746d,

title = "High resolution analysis of C2D4 in the region of 600-1150 cm(-1)",

abstract = "High-accurate Fourier-transform infrared spectra of C2D4 were recorded and analyzed in the region of 600-1150 cm-1 where the bands ν7(B1u), ν10(B2u), ν12(B3u) are located as well as the ν4(Au) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν12 and ν7 absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 {"}experimental{"} ro-vibrational energy values with the drms=2.1×10-4cm-1.",

keywords = "C2D4 ethylene, Ground vibrational state, High-resolution spectra, Spectroscopic parameters",

author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Fomchenko, {Anna Leonidovna} and Fangce Zhang and C. Sydow and C. Maul and S. Bauerecker",

year = "2016",

month = oct,

day = "1",

doi = "10.1016/j.jqsrt.2016.04.026",

language = "English",

volume = "182",

pages = "55--70",

journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",

issn = "0022-4073",

publisher = "Elsevier Limited",

}

TY - JOUR

T1 - High resolution analysis of C2D4 in the region of 600-1150 cm(-1)

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Fomchenko, Anna Leonidovna

AU - Zhang, Fangce

AU - Sydow, C.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2016/10/1

Y1 - 2016/10/1

N2 - High-accurate Fourier-transform infrared spectra of C2D4 were recorded and analyzed in the region of 600-1150 cm-1 where the bands ν7(B1u), ν10(B2u), ν12(B3u) are located as well as the ν4(Au) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν12 and ν7 absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 "experimental" ro-vibrational energy values with the drms=2.1×10-4cm-1.

AB - High-accurate Fourier-transform infrared spectra of C2D4 were recorded and analyzed in the region of 600-1150 cm-1 where the bands ν7(B1u), ν10(B2u), ν12(B3u) are located as well as the ν4(Au) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν12 and ν7 absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 "experimental" ro-vibrational energy values with the drms=2.1×10-4cm-1.

KW - C2D4 ethylene

KW - Ground vibrational state

KW - High-resolution spectra

KW - Spectroscopic parameters

UR - http://www.scopus.com/inward/record.url?scp=84971228871&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84971228871&partnerID=8YFLogxK

U2 - 10.1016/j.jqsrt.2016.04.026

DO - 10.1016/j.jqsrt.2016.04.026

M3 - Article

AN - SCOPUS:84971228871

VL - 182

SP - 55

EP - 70

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -