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

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 d_rms = 0.0036 cm^-1.

Original language	English
Pages (from-to)	1142-1150
Number of pages	9
Journal	Physical Chemistry Chemical Physics
Volume	7
Issue number	6
DOIs	https://doi.org/10.1039/b414879g
Publication status	Published - 21 Mar 2005

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics

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10.1039/b414879g

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@article{4754271aa24a4fb58d7431046c6abb9a,

title = "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",

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.",

author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Grebneva, {S. V.} and H. Hollenstein and M. Quack",

year = "2005",

month = mar,

day = "21",

doi = "10.1039/b414879g",

language = "English",

volume = "7",

pages = "1142--1150",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "6",

}

TY - JOUR

T1 - High resolution Fourier transform spectroscopy of CH2D 2 in the region 2350-2650 cm-1

T2 - The bands ν5 + ν7, 2ν9, ν3 + ν4, ν3 + ν7 and ν5 + ν9

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Grebneva, S. V.

AU - Hollenstein, H.

AU - Quack, M.

PY - 2005/3/21

Y1 - 2005/3/21

N2 - 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.

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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