Abstract
Essential oils are aroma compounds extracted from plants with
pharmacology and mecial uses, being also utilized as perfumes, cosmetics
and for flavoring foods. In this work, Fourier Transform-Raman and
Attenuated Total Reflection-infrared spectra of essential oils from
Plectranthus amboinicus Lour. Spreng (Labiateae) and Vanillosmopsis
arborea Baker (Asteraceae) were investigated at room temperature. The
analysis of the vibrational spectra of the major constituents performed
on the basis of density functional theory (DFT) calculations allowed us
to assign the normal modes of these essential oils. Our analyses show
that vibrational spectra of these essential oils in the spectral region
of lower wavenumber ( < 1500 cm(-1)) present bands with characteristic
profile of their main chemical constituents. Additionally, this study
also shows that compounds which participated in an essential oil
composition in relatively low percentage can have a significant
influence on the Raman and infrared spectra of these essential oils, in
particular in the high wavenumber spectral region.
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