Comparative vibrational spectra of pilosine and epiisopilosine crystals
AUTOR(ES)
Bento, R.R.F., Silva, L.E. da, Faria, J.L.B., Freire, P.T.C., de Oliveira, M.C.F., Romero, N.R., Teixeira, A.M.R., Pontes, F.M.
FONTE
Brazilian Journal of Physics
DATA DE PUBLICAÇÃO
2010-06
RESUMO
This paper describes the study of two alkaloids extracted from Pilocarpus Microphyllus (Rutaceae): pilosine and epiisopilosine. These substances have potential application in the treatment of several diseases. In this work FT-Raman and the FT-IR spectra of pilosine and epiisopilosine were investigated at 300 K. Vibrational wavenumber and wave vector have been predicted using density functional theory (B3LYP) calculations with the 6-31 G(d,p) basis set. A comparison with experiment, allowed us to assign most of the normal modes of the crystals.
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