Ethylene-1-13C (13C12CH4)

First analysis of the ν2, ν3 and 2ν10 bands and re–analysis of the ν12 band and of the ground vibrational state

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, Yu S. Aslapovskaya, T. L. Tan, C. Sydow, C. Maul, S. Bauerecker

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7 Citations (Scopus)

Abstract

High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.

Original languageEnglish
Pages (from-to)403-413
Number of pages11
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume187
DOIs
Publication statusPublished - 1 Jan 2017

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vibrational states
ethylene
Hamiltonians
Molecules
Vibrational spectra
Electron energy levels
Ground state
vibrational spectra
quantum numbers
molecules
energy levels
interactions
ground state
high resolution

ASJC Scopus subject areas

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

Cite this

@article{bdc76e89a07845fab6e6a1d90de11667,
title = "Ethylene-1-13C (13C12CH4): First analysis of the ν2, ν3 and 2ν10 bands and re–analysis of the ν12 band and of the ground vibrational state",
abstract = "High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Aslapovskaya, {Yu S.} and Tan, {T. L.} and C. Sydow and C. Maul and S. Bauerecker",
year = "2017",
month = "1",
day = "1",
doi = "10.1016/j.jqsrt.2016.10.009",
language = "English",
volume = "187",
pages = "403--413",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

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TY - JOUR

T1 - Ethylene-1-13C (13C12CH4)

T2 - First analysis of the ν2, ν3 and 2ν10 bands and re–analysis of the ν12 band and of the ground vibrational state

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Aslapovskaya, Yu S.

AU - Tan, T. L.

AU - Sydow, C.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2017/1/1

Y1 - 2017/1/1

N2 - High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.

AB - High-resolution FTIR ro-vibrational spectra of the 13C12CH4 molecule in the region of 600–1700 cm−1, where the bands ν3, ν12 and ν2 are located, were recorded and analyzed with the Hamiltonian model. This model takes resonance interactions between these three bands as well as strong interactions with six neighboring bands, ν10, ν8, ν7, ν4, ν6, and 2ν10 into account. More than 3800 ro-vibrational transitions belonging to the bands ν3, ν12, ν2 and 2ν10 were assigned (for the first time for the ν2, ν3 and 2ν10 bands) with the maximum values of quantum numbers Jmax./Ka max. equal to 22/8, 52/18, 30/11 and 27/12, respectively. On this basis, a set of 62 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. These parameters reproduce 1562 initial “experimental” ro-vibrational energy levels obtained from unblended lines with the rms error drms=2.6×10−4cm−1. Furthermore, ground state parameters of the 13C12CH4 molecule were improved.

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