Comparative vibrational spectra of pilosine and epiisopilosine crystals
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Data
2010-06-01
Título da Revista
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Editor
Sociedade Brasileira de Física
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.
Descrição
Palavras-chave
Raman scattering, infrared spectroscopy, normal modes, pilosine, epiisopilosine
Como citar
Brazilian Journal of Physics. Sociedade Brasileira de Física, v. 40, n. 2, p. 217-223, 2010.