Room temperature self- and H2-broadened line parameters of carbon monoxide in the first overtone band: Theoretical and revised experimental resultsстатья
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Аннотация:Lorentz self-andH2-broadened half-width and pressure- nduced shift coefficients, line mixing coefficients
as well as linecenter positionsandintensitieswereobtainedusinganonlinearleastsquare fitting
techniquefor48(P(24)toR(23))ro-vibrationaltransitionsbelongingtothe first overtone(2’0) band of
12C16O at room temperature. All spectra in the4146to4332cm1 spectralintervalwere fitted simultaneously mployingfour lineshapefunctions:theVoigt,SpeedDependentVoigt,RautianandSpeed
Dependent Rautianprofiles. Thecollisionallinemixingeffecthasbeenobservedandinvestigatedasan
asymmetry intheanalyzedlineprofiles. Asemi-empiricalExponentialPowerGapLawmethodwasused
to estimatetheself-andH2-broadeningcoefficients andthecollisionallinemixingparameters.Ad-
ditionally,aclassicalapproachwasappliedtocalculatethehalf-widthcoefficients oftransitionsinthe
2’0 bandforcarbonmonoxidebroadenedbyH2 and forpureCO.Theclassicalapproachbasedona
simple computational method, ensures the molecular motion is correctly characterized in 3-dimensions. The calculations used vibrationally independent intermolecular interaction potentials. The variation of
CO half-width coefficients with rotational quantum number Jr24 was computed and compared with measurements. The agreement between the theoretical broadening coefficients is better for pure CO rather than for theCO-H2 system.