Abbreviations: ν, stretching; β, deformation in the plane; γ,
deformation out of plane; τ, torsion; βR. deformation
ring τR, torsion ring; ρ, rocking; τw, twisting; δ,
deformation; a, antisymmetric; s, symmetric; (A1), Ring
1; (A2), Ring 2; aThis work,bFrom scaled quantum mechanics force field.
Particularly, in the IR spectrum of R(+) form in the 2000-400
cm-1 region bands with higher intensities are observed
while in the higher wavenumbers region the observed IR bands are wide
due to the packing forces not considered in the calculations in gas
phase. Predicted Raman spectra for both forms show higher differences in
the 900-100 cm-1 region evidencing higher intensities
some bands of S(-) form, as observed in Figure 7. Discussions of
assignments of more important groups are presented below by regions.