Harmonic force field and Raman trace scattering intensity parameters for cyclohexane

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Abstract
Absolute Raman trace scattering cross sections have been measured for gaseous cyclohexane-h12, cyclohexane-d12, and the axial and equatorial isomers of cyclohexane-d11. A set of ∂ᾱ/∂Sj intensity parameters were determined from the experimental cross sections. The quadratic vibrational force field required for this analysis was obtained by scaling an ab initio force field to fit well determined vibrational frequencies. The unexpected intensity ratio observed for the CH stretching bands of the two conformers of d11 is explained by a difference in the ∂ᾱ/∂rCH value for the axial and equatorial CH bonds. The transferability of Raman intensity parameters is considered in light of recent results.

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