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Vibrational spectra of pilocarpine hydrochloride crystals

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dc.contributor.authorBento, R. R. F.
dc.contributor.authorFreire, P. T. C.
dc.contributor.authorTeixeira, A. M. R.
dc.contributor.authorSilva, J. H.
dc.contributor.authorLima Jr., J. A.
dc.contributor.authorOliveira, M. C. F. de
dc.contributor.authorAndrade Neto, M.
dc.contributor.authorRomero, N. R.
dc.contributor.authorPontes, Fenelon Martinho Lima [UNESP]
dc.contributor.institutionUniversidade Federal do Mato Grosso
dc.contributor.institutionUniversidade Federal do Ceará (UFC)
dc.contributor.institutionUniversidade Regional do Cariri
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T15:15:44Z
dc.date.available2014-05-20T15:15:44Z
dc.date.issued2009-03-01
dc.description.abstractPilocarpine 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+.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.en
dc.description.affiliationUniversidade Federal do Mato Grosso Instituto de Física
dc.description.affiliationUniversidade Federal do Ceará (UFC) Departamento de Física
dc.description.affiliationUniversidade Regional do Cariri Dep. Ciências Físicas e Biológicas
dc.description.affiliationUniversidade Estadual do Ceará
dc.description.affiliationUniversidade Federal do Ceará (UFC) Dep. Química Orgânica e Inorgânica
dc.description.affiliationUniversidade Federal do Ceará (UFC) Departamento de Farmácia
dc.description.affiliationUniversidade Estadual de São Paulo Faculdade de Ciências
dc.format.extent62-68
dc.identifierhttp://dx.doi.org/10.1590/S0103-97332009000100012
dc.identifier.citationBrazilian Journal of Physics. Sociedade Brasileira de Física, v. 39, n. 1, p. 62-68, 2009.
dc.identifier.doi10.1590/S0103-97332009000100012
dc.identifier.fileS0103-97332009000100012.pdf
dc.identifier.issn0103-9733
dc.identifier.lattes1159480346990821
dc.identifier.orcid0000-0001-6086-5303
dc.identifier.scieloS0103-97332009000100012
dc.identifier.urihttp://hdl.handle.net/11449/29758
dc.language.isoeng
dc.publisherSociedade Brasileira de Física
dc.relation.ispartofBrazilian Journal of Physics
dc.relation.ispartofjcr1.082
dc.relation.ispartofsjr0,276
dc.rights.accessRightsAcesso aberto
dc.sourceSciELO
dc.subjectRaman scatteringen
dc.subjectinfrared spectroscopyen
dc.subjectnormal modesen
dc.subjectpilocarpine hydrochlorideen
dc.titleVibrational spectra of pilocarpine hydrochloride crystalsen
dc.typeArtigo
dspace.entity.typePublication
unesp.author.lattes1159480346990821[9]
unesp.author.orcid0000-0001-6086-5303[9]
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências, Baurupt
unesp.departmentQuímica - FCpt

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