Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina

Detalhes bibliográficos
Autor(a) principal: SOARES, Rilleands Alves
Data de Publicação: 2017
Tipo de documento: Dissertação
Idioma: por
Título da fonte: Biblioteca Digital de Teses e Dissertações da UFMA
Texto Completo: http://tedebc.ufma.br:8080/jspui/handle/tede/1354
Resumo: In this work nitrate L-Alanine crystals (LAN) were prepared by slow evaporation technique at room temperature and characterization by X-ray diffraction and Raman scattering at room temperature and high pressures in the amino acid salt crystals LAN. The crystals grew after six months of rest. The growth solution was acidic with pH 1.0. With the XRD pattern of the material and the Rietveld analysis, it was found that at room temperature LAN crystallizes in orthorhombic space group (P212121) with four molecules per unit cell. The refinement of the quality parameters were satisfactory, with Rp = 5.52%, 7.73% and S = 1.4. The results of Raman scattering with hydrostatic pressure variation between 0 GPa and 7.4 GPa, show that the LAN crystal undergoes a phase transition between 3.5 and 4.1 GPa, as suggested by the changes in the vibrational modes, both In the low wave number as in the internal mode regions. The correlation between the configuration of hydrogen bonding at ambient pressure and the occurrence of phase transition with pressure variation was proposed. After decompression at ambient pressure, the original spectra were recovered indicating that the phase transitions are reversible.
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spelling LIMA, Ricardo Jorge Cruz449.039.602-34http://lattes.cnpq.br/2510624805964204881.908.623-91http://lattes.cnpq.br/8596933747678110SOARES, Rilleands Alves2017-05-09T19:00:17Z2017-04-18SOARES, Rilleands Alves. Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina. 2017. 57 f. Dissertação (Programa de Pós-Graduação em Ciência dos Materiais) - Universidade Federal do Maranhão, Imperatriz, 2017.http://tedebc.ufma.br:8080/jspui/handle/tede/1354In this work nitrate L-Alanine crystals (LAN) were prepared by slow evaporation technique at room temperature and characterization by X-ray diffraction and Raman scattering at room temperature and high pressures in the amino acid salt crystals LAN. The crystals grew after six months of rest. The growth solution was acidic with pH 1.0. With the XRD pattern of the material and the Rietveld analysis, it was found that at room temperature LAN crystallizes in orthorhombic space group (P212121) with four molecules per unit cell. The refinement of the quality parameters were satisfactory, with Rp = 5.52%, 7.73% and S = 1.4. The results of Raman scattering with hydrostatic pressure variation between 0 GPa and 7.4 GPa, show that the LAN crystal undergoes a phase transition between 3.5 and 4.1 GPa, as suggested by the changes in the vibrational modes, both In the low wave number as in the internal mode regions. The correlation between the configuration of hydrogen bonding at ambient pressure and the occurrence of phase transition with pressure variation was proposed. After decompression at ambient pressure, the original spectra were recovered indicating that the phase transitions are reversible.Este trabalho descreve o preparo dos cristais de nitrato de L-Alanina (NLA) pela técnica de evaporação lenta do solvente à temperatura ambiente e realizadas medidas de caracterização por difração de raios X e espalhamento Raman à temperatura ambiente e a altas pressões em cristais do sal de aminoácido de NLA. Os cristais cresceram após seis meses de repouso. A solução de crescimento era ácida com pH 1,0. Com o difratograma do material e a análise pelo método Rietveld, constatou-se que à temperatura ambiente o NLA cristaliza-se numa estrutura ortorrômbica (P212121) com quatro moléculas por célula unitária. Os parâmetros de qualidade do refinamento foram satisfatórios, com Rp = 5,52 %, Rwp = 7,73 % e S = 1,4. Os resultados de espalhamento Raman com variação da pressão hidrostática entre 0 GPa e 7,4 GPa, sugerem que o cristal de NLA, sofre uma transição de fase entre 3,5 e 4,1 GPa, evidenciando pelas mudanças nos modos vibracionais, tanto no número de onda baixo como nas regiões de modos internos. Foi proposta a correlação entre as ligações de hidrogênio à pressão ambiente e a ocorrência de transição de fase com variação de pressão. Após a descompressão à pressão ambiente, os espectros originais foram recuperados indicando que as transições de fase são reversíveis.Submitted by Rosivalda Pereira (mrs.pereira@ufma.br) on 2017-05-09T19:00:17Z No. of bitstreams: 1 RilleandsSoares.pdf: 3170256 bytes, checksum: 735ff5b185572666283ce8413340aa71 (MD5)Made available in DSpace on 2017-05-09T19:00:17Z (GMT). No. of bitstreams: 1 RilleandsSoares.pdf: 3170256 bytes, checksum: 735ff5b185572666283ce8413340aa71 (MD5) Previous issue date: 2017-04-18application/pdfporUniversidade Federal do MaranhãoPROGRAMA DE PÓS-GRADUAÇÃO EM CIÊNCIA DOS MATERIAIS/CCSSTUFMABrasilCOORDENAÇÃO DO CURSO DE CIÊNCIA E TECNOLOGIA - IMPERATRIZ/CCSSTNitrato de L-AlaninaPressão hidrostáticaEspectroscopia RamanNitrate L-AlanineRaman spectroscopyHydrostatic pressureFísica da Matéria CondensadaEstudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-AlaninaStudy of high pressures by Raman spectroscopy on L-Alanine Nitrate crystalinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/openAccessreponame:Biblioteca Digital de Teses e Dissertações da UFMAinstname:Universidade Federal do Maranhão (UFMA)instacron:UFMAORIGINALRilleandsSoares.pdfRilleandsSoares.pdfapplication/pdf3170256http://tedebc.ufma.br:8080/bitstream/tede/1354/2/RilleandsSoares.pdf735ff5b185572666283ce8413340aa71MD52LICENSElicense.txtlicense.txttext/plain; charset=utf-82255http://tedebc.ufma.br:8080/bitstream/tede/1354/1/license.txt97eeade1fce43278e63fe063657f8083MD51tede/13542023-01-18 14:31:07.001oai:tede2: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Biblioteca Digital de Teses e Dissertaçõeshttps://tedebc.ufma.br/jspui/PUBhttp://tedebc.ufma.br:8080/oai/requestrepositorio@ufma.br||repositorio@ufma.bropendoar:21312023-01-18T17:31:07Biblioteca Digital de Teses e Dissertações da UFMA - Universidade Federal do Maranhão (UFMA)false
dc.title.por.fl_str_mv Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
dc.title.alternative.eng.fl_str_mv Study of high pressures by Raman spectroscopy on L-Alanine Nitrate crystal
title Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
spellingShingle Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
SOARES, Rilleands Alves
Nitrato de L-Alanina
Pressão hidrostática
Espectroscopia Raman
Nitrate L-Alanine
Raman spectroscopy
Hydrostatic pressure
Física da Matéria Condensada
title_short Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
title_full Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
title_fullStr Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
title_full_unstemmed Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
title_sort Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina
author SOARES, Rilleands Alves
author_facet SOARES, Rilleands Alves
author_role author
dc.contributor.advisor1.fl_str_mv LIMA, Ricardo Jorge Cruz
dc.contributor.advisor1ID.fl_str_mv 449.039.602-34
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/2510624805964204
dc.contributor.authorID.fl_str_mv 881.908.623-91
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/8596933747678110
dc.contributor.author.fl_str_mv SOARES, Rilleands Alves
contributor_str_mv LIMA, Ricardo Jorge Cruz
dc.subject.por.fl_str_mv Nitrato de L-Alanina
Pressão hidrostática
Espectroscopia Raman
topic Nitrato de L-Alanina
Pressão hidrostática
Espectroscopia Raman
Nitrate L-Alanine
Raman spectroscopy
Hydrostatic pressure
Física da Matéria Condensada
dc.subject.eng.fl_str_mv Nitrate L-Alanine
Raman spectroscopy
Hydrostatic pressure
dc.subject.cnpq.fl_str_mv Física da Matéria Condensada
description In this work nitrate L-Alanine crystals (LAN) were prepared by slow evaporation technique at room temperature and characterization by X-ray diffraction and Raman scattering at room temperature and high pressures in the amino acid salt crystals LAN. The crystals grew after six months of rest. The growth solution was acidic with pH 1.0. With the XRD pattern of the material and the Rietveld analysis, it was found that at room temperature LAN crystallizes in orthorhombic space group (P212121) with four molecules per unit cell. The refinement of the quality parameters were satisfactory, with Rp = 5.52%, 7.73% and S = 1.4. The results of Raman scattering with hydrostatic pressure variation between 0 GPa and 7.4 GPa, show that the LAN crystal undergoes a phase transition between 3.5 and 4.1 GPa, as suggested by the changes in the vibrational modes, both In the low wave number as in the internal mode regions. The correlation between the configuration of hydrogen bonding at ambient pressure and the occurrence of phase transition with pressure variation was proposed. After decompression at ambient pressure, the original spectra were recovered indicating that the phase transitions are reversible.
publishDate 2017
dc.date.accessioned.fl_str_mv 2017-05-09T19:00:17Z
dc.date.issued.fl_str_mv 2017-04-18
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/masterThesis
format masterThesis
status_str publishedVersion
dc.identifier.citation.fl_str_mv SOARES, Rilleands Alves. Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina. 2017. 57 f. Dissertação (Programa de Pós-Graduação em Ciência dos Materiais) - Universidade Federal do Maranhão, Imperatriz, 2017.
dc.identifier.uri.fl_str_mv http://tedebc.ufma.br:8080/jspui/handle/tede/1354
identifier_str_mv SOARES, Rilleands Alves. Estudo de altas pressões por espectroscopia Raman no cristal de Nitrato de L-Alanina. 2017. 57 f. Dissertação (Programa de Pós-Graduação em Ciência dos Materiais) - Universidade Federal do Maranhão, Imperatriz, 2017.
url http://tedebc.ufma.br:8080/jspui/handle/tede/1354
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language por
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv Universidade Federal do Maranhão
dc.publisher.program.fl_str_mv PROGRAMA DE PÓS-GRADUAÇÃO EM CIÊNCIA DOS MATERIAIS/CCSST
dc.publisher.initials.fl_str_mv UFMA
dc.publisher.country.fl_str_mv Brasil
dc.publisher.department.fl_str_mv COORDENAÇÃO DO CURSO DE CIÊNCIA E TECNOLOGIA - IMPERATRIZ/CCSST
publisher.none.fl_str_mv Universidade Federal do Maranhão
dc.source.none.fl_str_mv reponame:Biblioteca Digital de Teses e Dissertações da UFMA
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