High resolution Fourier transform spectroscopy of CH2D2 in the region 2350-2650 cm(-1): the bands nu5 + nu7, 2nu9, nu3 + nu4, nu3 + nu7 and nu5 + nu9.
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 2nu9, nu3 + nu4, nu5 + nu9, nu5 + nu7 and nu3 + nu7 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).
Laboratory of Molecular Spectroscopy, Physics Department, Tomsk State University, Tomsk, 634050, Russia.
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Ulenikov
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Bekhtereva
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Grebneva
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Hollenstein
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M
Quack
D000465:Algorithms; D002621:Chemistry / Q000379:methods; D002627:Chemistry, Physical / Q000379:methods*; D007700:Kinetics; D008697:Methane / Q000737:chemistry; D015233:Models, Statistical; D008962:Models, Theoretical; D015203:Reproducibility of Results; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D014732:Vibration
D008697:Methane