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 language | English |
|---|---|
| Pages (from-to) | 1142-1150 |
| Number of pages | 9 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 7 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 21 Mar 2005 |
Fingerprint
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 journal › Article
}
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.
UR - http://www.scopus.com/inward/record.url?scp=16244373015&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=16244373015&partnerID=8YFLogxK
U2 - 10.1039/b414879g
DO - 10.1039/b414879g
M3 - Article
VL - 7
SP - 1142
EP - 1150
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 6
ER -