Article,

Comparative Vibrational Spectra of Pilosine and Epiisopilosine crystals

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BRAZILIAN JOURNAL OF PHYSICS, 40 (2): 217-223 (2010)
DOI: 10.1590/S0103-97332010000200016

Abstract

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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