Vibrational spectra of pilocarpine hydrochloride crystals
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2009 |
| Outros Autores: | , , , , , , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Institucional da UNESP |
| DOI: | 10.1590/S0103-97332009000100012 |
| Texto Completo: | http://dx.doi.org/10.1590/S0103-97332009000100012 http://hdl.handle.net/11449/29758 |
Resumo: | 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+.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. |
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Vibrational spectra of pilocarpine hydrochloride crystalsRaman scatteringinfrared spectroscopynormal modespilocarpine hydrochloridePilocarpine 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.Universidade Federal do Mato Grosso Instituto de FísicaUniversidade Federal do Ceará (UFC) Departamento de FísicaUniversidade Regional do Cariri Dep. Ciências Físicas e BiológicasUniversidade Estadual do CearáUniversidade Federal do Ceará (UFC) Dep. Química Orgânica e InorgânicaUniversidade Federal do Ceará (UFC) Departamento de FarmáciaUniversidade Estadual de São Paulo Faculdade de CiênciasSociedade Brasileira de FísicaUniversidade Federal do Mato GrossoUniversidade Federal do Ceará (UFC)Universidade Regional do CaririUniversidade Estadual Paulista (Unesp)Bento, R. R. F.Freire, P. T. C.Teixeira, A. M. R.Silva, J. H.Lima Jr., J. A.Oliveira, M. C. F. deAndrade Neto, M.Romero, N. R.Pontes, Fenelon Martinho Lima [UNESP]2014-05-20T15:15:44Z2014-05-20T15:15:44Z2009-03-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article62-68application/pdfhttp://dx.doi.org/10.1590/S0103-97332009000100012Brazilian Journal of Physics. Sociedade Brasileira de Física, v. 39, n. 1, p. 62-68, 2009.0103-9733http://hdl.handle.net/11449/2975810.1590/S0103-97332009000100012S0103-97332009000100012S0103-97332009000100012.pdf11594803469908210000-0001-6086-5303SciELOreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengBrazilian Journal of Physics1.0820,276info:eu-repo/semantics/openAccess2024-04-29T18:17:00Zoai:repositorio.unesp.br:11449/29758Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T19:05:39.047402Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
| dc.title.none.fl_str_mv |
Vibrational spectra of pilocarpine hydrochloride crystals |
| title |
Vibrational spectra of pilocarpine hydrochloride crystals |
| spellingShingle |
Vibrational spectra of pilocarpine hydrochloride crystals Vibrational spectra of pilocarpine hydrochloride crystals Bento, R. R. F. Raman scattering infrared spectroscopy normal modes pilocarpine hydrochloride Bento, R. R. F. Raman scattering infrared spectroscopy normal modes pilocarpine hydrochloride |
| title_short |
Vibrational spectra of pilocarpine hydrochloride crystals |
| title_full |
Vibrational spectra of pilocarpine hydrochloride crystals |
| title_fullStr |
Vibrational spectra of pilocarpine hydrochloride crystals Vibrational spectra of pilocarpine hydrochloride crystals |
| title_full_unstemmed |
Vibrational spectra of pilocarpine hydrochloride crystals Vibrational spectra of pilocarpine hydrochloride crystals |
| title_sort |
Vibrational spectra of pilocarpine hydrochloride crystals |
| author |
Bento, R. R. F. |
| author_facet |
Bento, R. R. F. Bento, R. R. F. Freire, P. T. C. Teixeira, A. M. R. Silva, J. H. Lima Jr., J. A. Oliveira, M. C. F. de Andrade Neto, M. Romero, N. R. Pontes, Fenelon Martinho Lima [UNESP] Freire, P. T. C. Teixeira, A. M. R. Silva, J. H. Lima Jr., J. A. Oliveira, M. C. F. de Andrade Neto, M. Romero, N. R. Pontes, Fenelon Martinho Lima [UNESP] |
| author_role |
author |
| author2 |
Freire, P. T. C. Teixeira, A. M. R. Silva, J. H. Lima Jr., J. A. Oliveira, M. C. F. de Andrade Neto, M. Romero, N. R. Pontes, Fenelon Martinho Lima [UNESP] |
| author2_role |
author author author author author author author author |
| dc.contributor.none.fl_str_mv |
Universidade Federal do Mato Grosso Universidade Federal do Ceará (UFC) Universidade Regional do Cariri Universidade Estadual Paulista (Unesp) |
| dc.contributor.author.fl_str_mv |
Bento, R. R. F. Freire, P. T. C. Teixeira, A. M. R. Silva, J. H. Lima Jr., J. A. Oliveira, M. C. F. de Andrade Neto, M. Romero, N. R. Pontes, Fenelon Martinho Lima [UNESP] |
| dc.subject.por.fl_str_mv |
Raman scattering infrared spectroscopy normal modes pilocarpine hydrochloride |
| topic |
Raman scattering infrared spectroscopy normal modes pilocarpine hydrochloride |
| description |
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+.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. |
| publishDate |
2009 |
| dc.date.none.fl_str_mv |
2009-03-01 2014-05-20T15:15:44Z 2014-05-20T15:15:44Z |
| dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
| dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
| format |
article |
| status_str |
publishedVersion |
| dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1590/S0103-97332009000100012 Brazilian Journal of Physics. Sociedade Brasileira de Física, v. 39, n. 1, p. 62-68, 2009. 0103-9733 http://hdl.handle.net/11449/29758 10.1590/S0103-97332009000100012 S0103-97332009000100012 S0103-97332009000100012.pdf 1159480346990821 0000-0001-6086-5303 |
| url |
http://dx.doi.org/10.1590/S0103-97332009000100012 http://hdl.handle.net/11449/29758 |
| identifier_str_mv |
Brazilian Journal of Physics. Sociedade Brasileira de Física, v. 39, n. 1, p. 62-68, 2009. 0103-9733 10.1590/S0103-97332009000100012 S0103-97332009000100012 S0103-97332009000100012.pdf 1159480346990821 0000-0001-6086-5303 |
| dc.language.iso.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
Brazilian Journal of Physics 1.082 0,276 |
| dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
| eu_rights_str_mv |
openAccess |
| dc.format.none.fl_str_mv |
62-68 application/pdf |
| dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Física |
| publisher.none.fl_str_mv |
Sociedade Brasileira de Física |
| dc.source.none.fl_str_mv |
SciELO reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
| instname_str |
Universidade Estadual Paulista (UNESP) |
| instacron_str |
UNESP |
| institution |
UNESP |
| reponame_str |
Repositório Institucional da UNESP |
| collection |
Repositório Institucional da UNESP |
| repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
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|
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1822182355623739392 |
| dc.identifier.doi.none.fl_str_mv |
10.1590/S0103-97332009000100012 |