Vibrational spectra of pilocarpine hydrochloride crystals
BRAZILIAN JOURNAL OF PHYSICS, 39 (1):
62-68 (2009)Abstract
Pilocarpine is a natural substance with potential application in the
treatment of several diseases. In this work Fourier Transform (FT)-Raman
spectrum and the Fourier Transform infra red (FT-IR) spectrum of
pilocarpine hydrochloride C11H17N2O2+ center dot Cl- 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 crystal.