Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões

Detalhes bibliográficos
Ano de defesa: 2010
Autor(a) principal: Sabino, Adelmo Santiago
Orientador(a): Freire, Paulo de Tarso Cavalcante
Banca de defesa: Não Informado pela instituição
Tipo de documento: Tese
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Não Informado pela instituição
Programa de Pós-Graduação: Não Informado pela instituição
Departamento: Não Informado pela instituição
País: Não Informado pela instituição
Palavras-chave em Português:
Link de acesso: http://www.repositorio.ufc.br/handle/riufc/786
Resumo: In this thesis, are studied by Raman spectroscopy of two amino acid crystals subjected to conditions of high pressures. The rst is a sample of deuterated L-Valine. Initially, an attempt was made to identify all the bands that appear in the Raman spectrum of deuterated L-Valine, comparing with the results of L-Valine hydrogenated in the literature. The following study was conducted on the sample compressed in a cell with argon pressure to extremes of diamonds in the range between 0:0 GPa and 12 GPa this study can conclude that between 0:0 and 1:3 GPa, the L-Valine su ers a deuterated structural change, according to information provided by the Raman spectra of the material in the region of external modes. At higher pressures, between 5 GPa and 7 GPa, changes occur in the Raman spectra in nearly all spectral regions, which also points to a possible conformational change of molecules in the unit cell. It also provided the values (∂wj/∂P)t for the various modes of vibration of the crystal at various stages presented by the same. The second investigation was the amino acid L-Isoleucine, which was studied by Raman spectroscopy under high pressures up to about 7:5 GPa with the compressor as a liquid mineral oil. Analysis in the spectral region 50 cm⁻¹ { 3200 cm⁻¹, one can infer that above 2:5 GPa and 5:0 GPa large conformational changes occur in the molecule of L-Isoleucine in the unit cell. When you make a graph of the wave number of two-mode network of the crystal of L-Isoleucine investigated as a function of pressure, there are clear discontinuities at approximately 2:3 GPa and 5:0 GPa These changes were associated with changes in the connections hydrogen, since the major changes were observed in the frequency bands associated with the NH₃⁺ rocking and the rocking of CO₂.
id UFC-7_f2e8834891a9cacf5cc0eaf182c00a18
oai_identifier_str oai:repositorio.ufc.br:riufc/786
network_acronym_str UFC-7
network_name_str Repositório Institucional da Universidade Federal do Ceará (UFC)
repository_id_str
spelling Sabino, Adelmo SantiagoFreire, Paulo de Tarso Cavalcante2011-09-23T13:22:46Z2011-09-23T13:22:46Z2010SABINO, A. S. Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões. 2010. 102 f. Tese (Doutorado em Física) - Centro de Ciências, Universdidade Federal do Ceará, Fortaleza, 2010.http://www.repositorio.ufc.br/handle/riufc/786In this thesis, are studied by Raman spectroscopy of two amino acid crystals subjected to conditions of high pressures. The rst is a sample of deuterated L-Valine. Initially, an attempt was made to identify all the bands that appear in the Raman spectrum of deuterated L-Valine, comparing with the results of L-Valine hydrogenated in the literature. The following study was conducted on the sample compressed in a cell with argon pressure to extremes of diamonds in the range between 0:0 GPa and 12 GPa this study can conclude that between 0:0 and 1:3 GPa, the L-Valine su ers a deuterated structural change, according to information provided by the Raman spectra of the material in the region of external modes. At higher pressures, between 5 GPa and 7 GPa, changes occur in the Raman spectra in nearly all spectral regions, which also points to a possible conformational change of molecules in the unit cell. It also provided the values (∂wj/∂P)t for the various modes of vibration of the crystal at various stages presented by the same. The second investigation was the amino acid L-Isoleucine, which was studied by Raman spectroscopy under high pressures up to about 7:5 GPa with the compressor as a liquid mineral oil. Analysis in the spectral region 50 cm⁻¹ { 3200 cm⁻¹, one can infer that above 2:5 GPa and 5:0 GPa large conformational changes occur in the molecule of L-Isoleucine in the unit cell. When you make a graph of the wave number of two-mode network of the crystal of L-Isoleucine investigated as a function of pressure, there are clear discontinuities at approximately 2:3 GPa and 5:0 GPa These changes were associated with changes in the connections hydrogen, since the major changes were observed in the frequency bands associated with the NH₃⁺ rocking and the rocking of CO₂.Nesta Tese são estudados por meio da técnica de espectroscopia Raman dois cristais de aminoácidos submetidos a condiçãoes de altas pressões. O primeiro deles e uma amostra de L-Valina deuterada. Inicialmente, foi feita a tentativa de identicação de todas as bandas Raman que aparecem no espectro da L-Valina deuterada, comparando-se com os resultados da L-Valina hidrogenada existentes na literatura. A seguir foi feito o estudo da amostra comprimida com argônio numa célula de pressão a extremos de diamantes no intervalo entre 0; 0 GPa e 12 GPa. Deste estudo pode-se concluir que entre 0; 0 GPa e 1; 3 GPa a L-Valina deuterada sofre uma mudança estrutural, conforme informações fornecidas pelos espectros Raman do material na região dos modos externos. Em pressões mais elevadas,entre 5 GPa e 7 GPa, ocorrem modificações nos espectros Raman em praticamente todas as regiões espectrais, o que aponta tamb em para uma possível mudança conformacional das moléculas na célula unitária. Forneceu-se também os valores (∂wj/∂P)t para os diversos modos de vibração do cristal nas várias fases apresentadas pelo mesmo. O segundo aminoácido investigado foi a L-Isoleucina, que foi estudada através de espectroscopia Raman sob condições de altas pressões até cerca de 7; 5 GPa tendo como líquido compressor o óleo mineral. Da análise na região espectral 50 cm ⁻¹ { 3200 cm ⁻¹, pode-se inferir que acima de 2; 5 GPa e de 5; 0 GPa ocorrem grandes mudanças conformacionais das moléculas de L-Isoleucina na célula unitária. Quando se faz o gráfico do número de onda de dois modos da rede do cristal de L-Isoleucina investigados em função da pressão,observam-se descontinuidades claras em aproximadamente 2; 3 GPa e 5; 0 GPa. Estas mudanças foram associadas a modificações nas ligações de hidrogênio, uma vez que as principais variações de frequências foram observadas em bandas associadas ao rocking do NH₃⁺ e ao rocking do CO₂ .Espectroscopia de RamanCristaisEspectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressõesinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisporreponame:Repositório Institucional da Universidade Federal do Ceará (UFC)instname:Universidade Federal do Ceará (UFC)instacron:UFCinfo:eu-repo/semantics/openAccessORIGINALTESE_Adelmo.pdfTESE_Adelmo.pdfapplication/pdf4025969http://repositorio.ufc.br/bitstream/riufc/786/1/TESE_Adelmo.pdf842cfaeae277f3c8caf9ecca03c7f55dMD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81748http://repositorio.ufc.br/bitstream/riufc/786/2/license.txt8a4605be74aa9ea9d79846c1fba20a33MD52riufc/7862023-08-28 11:45:49.66oai:repositorio.ufc.br:riufc/786Tk9URTogUExBQ0UgWU9VUiBPV04gTElDRU5TRSBIRVJFClRoaXMgc2FtcGxlIGxpY2Vuc2UgaXMgcHJvdmlkZWQgZm9yIGluZm9ybWF0aW9uYWwgcHVycG9zZXMgb25seS4KCk5PTi1FWENMVVNJVkUgRElTVFJJQlVUSU9OIExJQ0VOU0UKCkJ5IHNpZ25pbmcgYW5kIHN1Ym1pdHRpbmcgdGhpcyBsaWNlbnNlLCB5b3UgKHRoZSBhdXRob3Iocykgb3IgY29weXJpZ2h0Cm93bmVyKSBncmFudHMgdG8gRFNwYWNlIFVuaXZlcnNpdHkgKERTVSkgdGhlIG5vbi1leGNsdXNpdmUgcmlnaHQgdG8gcmVwcm9kdWNlLAp0cmFuc2xhdGUgKGFzIGRlZmluZWQgYmVsb3cpLCBhbmQvb3IgZGlzdHJpYnV0ZSB5b3VyIHN1Ym1pc3Npb24gKGluY2x1ZGluZwp0aGUgYWJzdHJhY3QpIHdvcmxkd2lkZSBpbiBwcmludCBhbmQgZWxlY3Ryb25pYyBmb3JtYXQgYW5kIGluIGFueSBtZWRpdW0sCmluY2x1ZGluZyBidXQgbm90IGxpbWl0ZWQgdG8gYXVkaW8gb3IgdmlkZW8uCgpZb3UgYWdyZWUgdGhhdCBEU1UgbWF5LCB3aXRob3V0IGNoYW5naW5nIHRoZSBjb250ZW50LCB0cmFuc2xhdGUgdGhlCnN1Ym1pc3Npb24gdG8gYW55IG1lZGl1bSBvciBmb3JtYXQgZm9yIHRoZSBwdXJwb3NlIG9mIHByZXNlcnZhdGlvbi4KCllvdSBhbHNvIGFncmVlIHRoYXQgRFNVIG1heSBrZWVwIG1vcmUgdGhhbiBvbmUgY29weSBvZiB0aGlzIHN1Ym1pc3Npb24gZm9yCnB1cnBvc2VzIG9mIHNlY3VyaXR5LCBiYWNrLXVwIGFuZCBwcmVzZXJ2YXRpb24uCgpZb3UgcmVwcmVzZW50IHRoYXQgdGhlIHN1Ym1pc3Npb24gaXMgeW91ciBvcmlnaW5hbCB3b3JrLCBhbmQgdGhhdCB5b3UgaGF2ZQp0aGUgcmlnaHQgdG8gZ3JhbnQgdGhlIHJpZ2h0cyBjb250YWluZWQgaW4gdGhpcyBsaWNlbnNlLiBZb3UgYWxzbyByZXByZXNlbnQKdGhhdCB5b3VyIHN1Ym1pc3Npb24gZG9lcyBub3QsIHRvIHRoZSBiZXN0IG9mIHlvdXIga25vd2xlZGdlLCBpbmZyaW5nZSB1cG9uCmFueW9uZSdzIGNvcHlyaWdodC4KCklmIHRoZSBzdWJtaXNzaW9uIGNvbnRhaW5zIG1hdGVyaWFsIGZvciB3aGljaCB5b3UgZG8gbm90IGhvbGQgY29weXJpZ2h0LAp5b3UgcmVwcmVzZW50IHRoYXQgeW91IGhhdmUgb2J0YWluZWQgdGhlIHVucmVzdHJpY3RlZCBwZXJtaXNzaW9uIG9mIHRoZQpjb3B5cmlnaHQgb3duZXIgdG8gZ3JhbnQgRFNVIHRoZSByaWdodHMgcmVxdWlyZWQgYnkgdGhpcyBsaWNlbnNlLCBhbmQgdGhhdApzdWNoIHRoaXJkLXBhcnR5IG93bmVkIG1hdGVyaWFsIGlzIGNsZWFybHkgaWRlbnRpZmllZCBhbmQgYWNrbm93bGVkZ2VkCndpdGhpbiB0aGUgdGV4dCBvciBjb250ZW50IG9mIHRoZSBzdWJtaXNzaW9uLgoKSUYgVEhFIFNVQk1JU1NJT04gSVMgQkFTRUQgVVBPTiBXT1JLIFRIQVQgSEFTIEJFRU4gU1BPTlNPUkVEIE9SIFNVUFBPUlRFRApCWSBBTiBBR0VOQ1kgT1IgT1JHQU5JWkFUSU9OIE9USEVSIFRIQU4gRFNVLCBZT1UgUkVQUkVTRU5UIFRIQVQgWU9VIEhBVkUKRlVMRklMTEVEIEFOWSBSSUdIVCBPRiBSRVZJRVcgT1IgT1RIRVIgT0JMSUdBVElPTlMgUkVRVUlSRUQgQlkgU1VDSApDT05UUkFDVCBPUiBBR1JFRU1FTlQuCgpEU1Ugd2lsbCBjbGVhcmx5IGlkZW50aWZ5IHlvdXIgbmFtZShzKSBhcyB0aGUgYXV0aG9yKHMpIG9yIG93bmVyKHMpIG9mIHRoZQpzdWJtaXNzaW9uLCBhbmQgd2lsbCBub3QgbWFrZSBhbnkgYWx0ZXJhdGlvbiwgb3RoZXIgdGhhbiBhcyBhbGxvd2VkIGJ5IHRoaXMKbGljZW5zZSwgdG8geW91ciBzdWJtaXNzaW9uLgo=Repositório InstitucionalPUBhttp://www.repositorio.ufc.br/ri-oai/requestbu@ufc.br || repositorio@ufc.bropendoar:2023-08-28T14:45:49Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)false
dc.title.pt_BR.fl_str_mv Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
title Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
spellingShingle Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
Sabino, Adelmo Santiago
Espectroscopia de Raman
Cristais
title_short Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
title_full Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
title_fullStr Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
title_full_unstemmed Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
title_sort Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões
author Sabino, Adelmo Santiago
author_facet Sabino, Adelmo Santiago
author_role author
dc.contributor.author.fl_str_mv Sabino, Adelmo Santiago
dc.contributor.advisor1.fl_str_mv Freire, Paulo de Tarso Cavalcante
contributor_str_mv Freire, Paulo de Tarso Cavalcante
dc.subject.por.fl_str_mv Espectroscopia de Raman
Cristais
topic Espectroscopia de Raman
Cristais
description In this thesis, are studied by Raman spectroscopy of two amino acid crystals subjected to conditions of high pressures. The rst is a sample of deuterated L-Valine. Initially, an attempt was made to identify all the bands that appear in the Raman spectrum of deuterated L-Valine, comparing with the results of L-Valine hydrogenated in the literature. The following study was conducted on the sample compressed in a cell with argon pressure to extremes of diamonds in the range between 0:0 GPa and 12 GPa this study can conclude that between 0:0 and 1:3 GPa, the L-Valine su ers a deuterated structural change, according to information provided by the Raman spectra of the material in the region of external modes. At higher pressures, between 5 GPa and 7 GPa, changes occur in the Raman spectra in nearly all spectral regions, which also points to a possible conformational change of molecules in the unit cell. It also provided the values (∂wj/∂P)t for the various modes of vibration of the crystal at various stages presented by the same. The second investigation was the amino acid L-Isoleucine, which was studied by Raman spectroscopy under high pressures up to about 7:5 GPa with the compressor as a liquid mineral oil. Analysis in the spectral region 50 cm⁻¹ { 3200 cm⁻¹, one can infer that above 2:5 GPa and 5:0 GPa large conformational changes occur in the molecule of L-Isoleucine in the unit cell. When you make a graph of the wave number of two-mode network of the crystal of L-Isoleucine investigated as a function of pressure, there are clear discontinuities at approximately 2:3 GPa and 5:0 GPa These changes were associated with changes in the connections hydrogen, since the major changes were observed in the frequency bands associated with the NH₃⁺ rocking and the rocking of CO₂.
publishDate 2010
dc.date.issued.fl_str_mv 2010
dc.date.accessioned.fl_str_mv 2011-09-23T13:22:46Z
dc.date.available.fl_str_mv 2011-09-23T13:22:46Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/doctoralThesis
format doctoralThesis
status_str publishedVersion
dc.identifier.citation.fl_str_mv SABINO, A. S. Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões. 2010. 102 f. Tese (Doutorado em Física) - Centro de Ciências, Universdidade Federal do Ceará, Fortaleza, 2010.
dc.identifier.uri.fl_str_mv http://www.repositorio.ufc.br/handle/riufc/786
identifier_str_mv SABINO, A. S. Espectroscopia Raman em Cristais de L-Valina Deuterada e L-Isoleucina sob altas pressões. 2010. 102 f. Tese (Doutorado em Física) - Centro de Ciências, Universdidade Federal do Ceará, Fortaleza, 2010.
url http://www.repositorio.ufc.br/handle/riufc/786
dc.language.iso.fl_str_mv por
language por
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv reponame:Repositório Institucional da Universidade Federal do Ceará (UFC)
instname:Universidade Federal do Ceará (UFC)
instacron:UFC
instname_str Universidade Federal do Ceará (UFC)
instacron_str UFC
institution UFC
reponame_str Repositório Institucional da Universidade Federal do Ceará (UFC)
collection Repositório Institucional da Universidade Federal do Ceará (UFC)
bitstream.url.fl_str_mv http://repositorio.ufc.br/bitstream/riufc/786/1/TESE_Adelmo.pdf
http://repositorio.ufc.br/bitstream/riufc/786/2/license.txt
bitstream.checksum.fl_str_mv 842cfaeae277f3c8caf9ecca03c7f55d
8a4605be74aa9ea9d79846c1fba20a33
bitstream.checksumAlgorithm.fl_str_mv MD5
MD5
repository.name.fl_str_mv Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)
repository.mail.fl_str_mv bu@ufc.br || repositorio@ufc.br
_version_ 1847793143473242112