Espectroscopia vibracional em cristais de L-histidina

Detalhes bibliográficos
Autor(a) principal: Pinheiro, Gardenia de Sousa
Data de Publicação: 2009
Tipo de documento: Dissertação
Idioma: por
Título da fonte: Repositório Institucional da Universidade Federal do Ceará (UFC)
Texto Completo: http://www.repositorio.ufc.br/handle/riufc/11831
Resumo: In this work, we have investigated L-histidine (C6H9N3O2) crystals through Raman spectroscopy in the spectral region 30 - 3450 cm−1 with temperature (30 - 428 K) and pressure (0,1 - 7,0 GPa) variations. Under low temperature conditions (30 K ≤ T ≤ 291 K) it was observed that the L-histidine crystal undergoes a conformational phase transition at 170 K. This conclusion is based on the temperature behavior of Raman bands associated with CO− 2 and NH+ 3 vibrations. Under high temperature conditions (300 K≤T≤428 K) the mode frequency of most of the peaks appearing on the Raman spectra of L-histidine present harmonic behavior up to the decomposition, at 428 K. High pressure Raman measurements were performed on two crystalline form of L-histidine: pure L-histidine and L-histidine hydrochloride monohydrated (C6H9N3O2·HCl·H2O). It was not observed any clear evidence for structural phase transition undergone by L-histidine up to 7,01 GPa. On the other hand, for L-histidine hydrochloride monohydrate, wich was investigated in the spectral range 0,7 - 7,5 GPa, we have obtained evidence that the crystal undergoes a reversible phase transition at approximately 2,7 GPa.
id UFC-7_61f73d6d86d3ee32d3b947dbedc2750c
oai_identifier_str oai:repositorio.ufc.br:riufc/11831
network_acronym_str UFC-7
network_name_str Repositório Institucional da Universidade Federal do Ceará (UFC)
repository_id_str
spelling Pinheiro, Gardenia de SousaFreire, Paulo de Tarso CavalcanteMelo, Francisco Erivan de Abreu2015-05-05T18:44:11Z2015-05-05T18:44:11Z2009PINHEIRO, G. S. Espectroscopia vibracional em cristais de L-histidina. 2009. 122 f. Dissertação (Mestrado em Física) - Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2009.http://www.repositorio.ufc.br/handle/riufc/11831In this work, we have investigated L-histidine (C6H9N3O2) crystals through Raman spectroscopy in the spectral region 30 - 3450 cm−1 with temperature (30 - 428 K) and pressure (0,1 - 7,0 GPa) variations. Under low temperature conditions (30 K ≤ T ≤ 291 K) it was observed that the L-histidine crystal undergoes a conformational phase transition at 170 K. This conclusion is based on the temperature behavior of Raman bands associated with CO− 2 and NH+ 3 vibrations. Under high temperature conditions (300 K≤T≤428 K) the mode frequency of most of the peaks appearing on the Raman spectra of L-histidine present harmonic behavior up to the decomposition, at 428 K. High pressure Raman measurements were performed on two crystalline form of L-histidine: pure L-histidine and L-histidine hydrochloride monohydrated (C6H9N3O2·HCl·H2O). It was not observed any clear evidence for structural phase transition undergone by L-histidine up to 7,01 GPa. On the other hand, for L-histidine hydrochloride monohydrate, wich was investigated in the spectral range 0,7 - 7,5 GPa, we have obtained evidence that the crystal undergoes a reversible phase transition at approximately 2,7 GPa.Neste trabalho, cristais de L-histidina (C6H9N3O2) são investigados através de espectroscopia Raman variando-se os parâmetros termodinâmicos como temperatura e pressão na região espectral entre 30 cm-1 e 3450 cm-1. Os experimentos de espectroscopia Raman em cristais de L-histidina foram realizados desde a temperatura de 30 K até 428 K. Dos experimentos realizados a baixas temperaturas (30 K < T < 291 K), observou-se que a estrutura da L-histidina sofre uma transição conformacional a 170 K, onde alguns modos relacionados às vibrações das unidades CO2- e NH3+ mudam de comportamento a essa temperatura. Nos experimentos realizados a altas temperaturas (300 K < T < 428 K), os números de onda dos modos Raman do cristal de L-histidina possuem comportamento predominantemente harmônico até a sua decomposição em aproximadamente 428 K. Medidas de espalhamento Raman em função da pressão hidrostática foram realizados em dois cristais da L-histidina : L-histidina (C6H9N3O2) e L-histidina clorohidrato monohidratada (C6H9N3O2¢ HCl ¢ H2O). Para o cristal de L-histidina, não foi observado evidência clara de transição de fase no intervalo de 0,1 GPa a 7,01 GPa. O cristal de L-histidina clorohidrato monohidratada (L-HICLM) foi investigado para valores de pressão hidrostática entre 0,7 GPa e 7,5 GPa. Os espectros Raman do material em função da pressão evidenciam uma transição de fase estrutural reversível a uma pressão de aproximadamente 2,7 GPa.HistidinaRamanEspectroscopiaEspectroscopia vibracional em cristais de L-histidinainfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisporreponame:Repositório Institucional da Universidade Federal do Ceará (UFC)instname:Universidade Federal do Ceará (UFC)instacron:UFCinfo:eu-repo/semantics/openAccessLICENSElicense.txtlicense.txttext/plain; charset=utf-81786http://repositorio.ufc.br/bitstream/riufc/11831/2/license.txt8c4401d3d14722a7ca2d07c782a1aab3MD52ORIGINAL2009_dis_gspinheiro.pdf2009_dis_gspinheiro.pdfapplication/pdf4290448http://repositorio.ufc.br/bitstream/riufc/11831/1/2009_dis_gspinheiro.pdf307325b13e898b043a43dcccc44abb9dMD51riufc/118312020-02-20 13:58:44.802oai:repositorio.ufc.br:riufc/11831w4kgbmVjZXNzw6FyaW8gY29uY29yZGFyIGNvbSBhIGxpY2Vuw6dhIGRlIGRpc3RyaWJ1acOnw6NvIG7Do28tZXhjbHVzaXZhLAphbnRlcyBxdWUgbyBkb2N1bWVudG8gcG9zc2EgYXBhcmVjZXIgbm8gUmVwb3NpdMOzcmlvLiBQb3IgZmF2b3IsIGxlaWEgYQpsaWNlbsOnYSBhdGVudGFtZW50ZS4gQ2FzbyBuZWNlc3NpdGUgZGUgYWxndW0gZXNjbGFyZWNpbWVudG8gZW50cmUgZW0KY29udGF0byBhdHJhdsOpcyBkZTogcmVwb3NpdG9yaW9AdWZjLmJyIG91ICg4NSkzMzY2LTk1MDguCgpMSUNFTsOHQSBERSBESVNUUklCVUnDh8ODTyBOw4NPLUVYQ0xVU0lWQQoKQW8gYXNzaW5hciBlIGVudHJlZ2FyIGVzdGEgbGljZW7Dp2EsIG8vYSBTci4vU3JhLiAoYXV0b3Igb3UgZGV0ZW50b3IgZG9zIGRpcmVpdG9zIGRlIGF1dG9yKToKCmEpIENvbmNlZGUgw6AgVW5pdmVyc2lkYWRlIEZlZGVyYWwgZG8gQ2VhcsOhIG8gZGlyZWl0byBuw6NvLWV4Y2x1c2l2byBkZQpyZXByb2R1emlyLCBjb252ZXJ0ZXIgKGNvbW8gZGVmaW5pZG8gYWJhaXhvKSwgY29tdW5pY2FyIGUvb3UKZGlzdHJpYnVpciBvIGRvY3VtZW50byBlbnRyZWd1ZSAoaW5jbHVpbmRvIG8gcmVzdW1vL2Fic3RyYWN0KSBlbQpmb3JtYXRvIGRpZ2l0YWwgb3UgaW1wcmVzc28gZSBlbSBxdWFscXVlciBtZWlvLgoKYikgRGVjbGFyYSBxdWUgbyBkb2N1bWVudG8gZW50cmVndWUgw6kgc2V1IHRyYWJhbGhvIG9yaWdpbmFsLCBlIHF1ZQpkZXTDqW0gbyBkaXJlaXRvIGRlIGNvbmNlZGVyIG9zIGRpcmVpdG9zIGNvbnRpZG9zIG5lc3RhIGxpY2Vuw6dhLiBEZWNsYXJhIHRhbWLDqW0gcXVlIGEgZW50cmVnYSBkbyBkb2N1bWVudG8gbsOjbyBpbmZyaW5nZSwgdGFudG8gcXVhbnRvIGxoZSDDqSBwb3Nzw612ZWwgc2FiZXIsIG9zIGRpcmVpdG9zIGRlIHF1YWxxdWVyIG91dHJhIHBlc3NvYSBvdSBlbnRpZGFkZS4KCmMpIFNlIG8gZG9jdW1lbnRvIGVudHJlZ3VlIGNvbnTDqW0gbWF0ZXJpYWwgZG8gcXVhbCBuw6NvIGRldMOpbSBvcwpkaXJlaXRvcyBkZSBhdXRvciwgZGVjbGFyYSBxdWUgb2J0ZXZlIGF1dG9yaXphw6fDo28gZG8gZGV0ZW50b3IgZG9zCmRpcmVpdG9zIGRlIGF1dG9yIHBhcmEgY29uY2VkZXIgw6AgVW5pdmVyc2lkYWRlIEZlZGVyYWwgZG8gQ2VhcsOhIG9zIGRpcmVpdG9zIHJlcXVlcmlkb3MgcG9yIGVzdGEgbGljZW7Dp2EsIGUgcXVlIGVzc2UgbWF0ZXJpYWwgY3Vqb3MgZGlyZWl0b3Mgc8OjbyBkZSB0ZXJjZWlyb3MgZXN0w6EgY2xhcmFtZW50ZSBpZGVudGlmaWNhZG8gZSByZWNvbmhlY2lkbyBubyB0ZXh0byBvdSBjb250ZcO6ZG8gZG8gZG9jdW1lbnRvIGVudHJlZ3VlLgoKU2UgbyBkb2N1bWVudG8gZW50cmVndWUgw6kgYmFzZWFkbyBlbSB0cmFiYWxobyBmaW5hbmNpYWRvIG91IGFwb2lhZG8KcG9yIG91dHJhIGluc3RpdHVpw6fDo28gcXVlIG7Do28gYSBVbml2ZXJzaWRhZGUgRmVkZXJhbCBkbyBDZWFyw6EsIGRlY2xhcmEgcXVlIGN1bXByaXUgcXVhaXNxdWVyIG9icmlnYcOnw7VlcyBleGlnaWRhcyBwZWxvIHJlc3BlY3Rpdm8gY29udHJhdG8gb3UKYWNvcmRvLgoKQSBVbml2ZXJzaWRhZGUgRmVkZXJhbCBkbyBDZWFyw6EgaWRlbnRpZmljYXLDoSBjbGFyYW1lbnRlIG8ocykgc2V1IChzKSBub21lIChzKSBjb21vIG8gKHMpIGF1dG9yIChlcykgb3UgZGV0ZW50b3IgKGVzKSBkb3MgZGlyZWl0b3MgZG8gZG9jdW1lbnRvIGVudHJlZ3VlLCBlIG7Do28gZmFyw6EgcXVhbHF1ZXIgYWx0ZXJhw6fDo28sIHBhcmEgYWzDqW0gZGFzIHBlcm1pdGlkYXMgcG9yIGVzdGEgbGljZW7Dp2EuCg==Repositório InstitucionalPUBhttp://www.repositorio.ufc.br/ri-oai/requestbu@ufc.br || repositorio@ufc.bropendoar:2020-02-20T16:58:44Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)false
dc.title.pt_BR.fl_str_mv Espectroscopia vibracional em cristais de L-histidina
title Espectroscopia vibracional em cristais de L-histidina
spellingShingle Espectroscopia vibracional em cristais de L-histidina
Pinheiro, Gardenia de Sousa
Histidina
Raman
Espectroscopia
title_short Espectroscopia vibracional em cristais de L-histidina
title_full Espectroscopia vibracional em cristais de L-histidina
title_fullStr Espectroscopia vibracional em cristais de L-histidina
title_full_unstemmed Espectroscopia vibracional em cristais de L-histidina
title_sort Espectroscopia vibracional em cristais de L-histidina
author Pinheiro, Gardenia de Sousa
author_facet Pinheiro, Gardenia de Sousa
author_role author
dc.contributor.co-advisor.none.fl_str_mv Freire, Paulo de Tarso Cavalcante
dc.contributor.author.fl_str_mv Pinheiro, Gardenia de Sousa
dc.contributor.advisor1.fl_str_mv Melo, Francisco Erivan de Abreu
contributor_str_mv Melo, Francisco Erivan de Abreu
dc.subject.por.fl_str_mv Histidina
Raman
Espectroscopia
topic Histidina
Raman
Espectroscopia
description In this work, we have investigated L-histidine (C6H9N3O2) crystals through Raman spectroscopy in the spectral region 30 - 3450 cm−1 with temperature (30 - 428 K) and pressure (0,1 - 7,0 GPa) variations. Under low temperature conditions (30 K ≤ T ≤ 291 K) it was observed that the L-histidine crystal undergoes a conformational phase transition at 170 K. This conclusion is based on the temperature behavior of Raman bands associated with CO− 2 and NH+ 3 vibrations. Under high temperature conditions (300 K≤T≤428 K) the mode frequency of most of the peaks appearing on the Raman spectra of L-histidine present harmonic behavior up to the decomposition, at 428 K. High pressure Raman measurements were performed on two crystalline form of L-histidine: pure L-histidine and L-histidine hydrochloride monohydrated (C6H9N3O2·HCl·H2O). It was not observed any clear evidence for structural phase transition undergone by L-histidine up to 7,01 GPa. On the other hand, for L-histidine hydrochloride monohydrate, wich was investigated in the spectral range 0,7 - 7,5 GPa, we have obtained evidence that the crystal undergoes a reversible phase transition at approximately 2,7 GPa.
publishDate 2009
dc.date.issued.fl_str_mv 2009
dc.date.accessioned.fl_str_mv 2015-05-05T18:44:11Z
dc.date.available.fl_str_mv 2015-05-05T18:44:11Z
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 PINHEIRO, G. S. Espectroscopia vibracional em cristais de L-histidina. 2009. 122 f. Dissertação (Mestrado em Física) - Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2009.
dc.identifier.uri.fl_str_mv http://www.repositorio.ufc.br/handle/riufc/11831
identifier_str_mv PINHEIRO, G. S. Espectroscopia vibracional em cristais de L-histidina. 2009. 122 f. Dissertação (Mestrado em Física) - Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2009.
url http://www.repositorio.ufc.br/handle/riufc/11831
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/11831/2/license.txt
http://repositorio.ufc.br/bitstream/riufc/11831/1/2009_dis_gspinheiro.pdf
bitstream.checksum.fl_str_mv 8c4401d3d14722a7ca2d07c782a1aab3
307325b13e898b043a43dcccc44abb9d
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_ 1847792318878318592