Comparative vibrational spectra of pilosine and epiisopilosine crystals

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.