%0 Journal Article
%T Comparative vibrational spectra of pilosine and epiisopilosine crystals
%A Bento
%A R.R.F.
%A Silva
%A L.E. da
%A Faria
%A J.L.B.
%A Freire
%A P.T.C.
%A de Oliveira
%A M.C.F.
%A Romero
%A N.R.
%A Teixeira
%A A.M.R.
%A Pontes
%A F.M.
%J Brazilian Journal of Physics
%D 2010
%I Scientific Electronic Library Online
%R 10.1590/S0103-97332010000200016
%X 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.
%K raman scattering
%K infrared spectroscopy
%K normal modes
%K pilosine
%K epiisopilosine.
%U http://www.scielo.br/scielo.php?script=sci_abstract&pid=S0103-97332010000200016&lng=en&nrm=iso&tlng=en