High resolution Fourier transform spectroscopy of CH2D 2 in the region 2350-2650 cm-1: The bands ν5 + ν7, 2ν9, ν3 + ν4, ν3 + ν7 and ν5 + ν9

O. N. Ulenikov, E. S. Bekhtereva, S. V. Grebneva, H. Hollenstein, M. Quack

Research output: Contribution to journalArticle

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Abstract

The IR spectrum of the CH2D2 molecule has been measured in the region of 2350-2650 cm-1 on a Bomem DA002 Fourier transform spectrometer with a resolution of 0.004 cm-1 (FWHM, apodized) and analyzed with a Hamiltonian model which takes into account resonance interactions between all vibrational states in that region. More than 3000 transitions have been assigned to the bands and 2ν9, ν3 + ν4, ν5, + ν9, ν5 + ν7, and ν3 + ν7 using ground state combination differences from the known ground state parameters. A set of 115 spectroscopic parameters for the excited vibrational states is obtained from a least squares adjustment. This reproduces the 646 initial upper ro-vibrational energies used in the fit with a drms = 0.0036 cm-1.

Original languageEnglish
Pages (from-to)1142-1150
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume7
Issue number6
DOIs
Publication statusPublished - 21 Mar 2005

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vibrational states
Ground state
Fourier transforms
Spectroscopy
Hamiltonians
ground state
high resolution
Full width at half maximum
spectroscopy
Spectrometers
adjusting
spectrometers
Molecules
molecules
interactions
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics

Cite this

High resolution Fourier transform spectroscopy of CH2D 2 in the region 2350-2650 cm-1 : The bands ν5 + ν7, 2ν9, ν3 + ν4, ν3 + ν7 and ν5 + ν9. / Ulenikov, O. N.; Bekhtereva, E. S.; Grebneva, S. V.; Hollenstein, H.; Quack, M.

In: Physical Chemistry Chemical Physics, Vol. 7, No. 6, 21.03.2005, p. 1142-1150.

Research output: Contribution to journalArticle

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AU - Ulenikov, O. N.

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AU - Hollenstein, H.

AU - Quack, M.

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AB - The IR spectrum of the CH2D2 molecule has been measured in the region of 2350-2650 cm-1 on a Bomem DA002 Fourier transform spectrometer with a resolution of 0.004 cm-1 (FWHM, apodized) and analyzed with a Hamiltonian model which takes into account resonance interactions between all vibrational states in that region. More than 3000 transitions have been assigned to the bands and 2ν9, ν3 + ν4, ν5, + ν9, ν5 + ν7, and ν3 + ν7 using ground state combination differences from the known ground state parameters. A set of 115 spectroscopic parameters for the excited vibrational states is obtained from a least squares adjustment. This reproduces the 646 initial upper ro-vibrational energies used in the fit with a drms = 0.0036 cm-1.

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