Vibrational spectra of acid and alkaline glycine salts

Detalhes bibliográficos
Autor(a) principal: Rosado, Mário T
Data de Publicação: 1998
Outros Autores: Duarte, Maria Leonor T. S., Fausto, Rui
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/17729
https://doi.org/10.1016/S0924-2031(97)00050-7
Resumo: The infrared and Raman spectra of crystalline acid (+NH3CH2COOH·Cl−) and alkaline (Na+·NH2CH2COO−) glycine salts were recorded and interpreted. The assignments were confirmed by comparison with the infrared and Raman spectra of crystalline glycine (zwitterion, +NH3CH2COO−) and the infrared spectrum of this molecule isolated in an argon matrix at low temperature (10 K) (neutral form, NH2CH2COOH). Further insight on the features of the vibrational spectra of these substances was achieved by ab initio (HF/6-31G*) frequency and intensity calculations and potential energy distribution calculations resulting from normal coordinate analysis.
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spelling Vibrational spectra of acid and alkaline glycine saltsThe infrared and Raman spectra of crystalline acid (+NH3CH2COOH·Cl−) and alkaline (Na+·NH2CH2COO−) glycine salts were recorded and interpreted. The assignments were confirmed by comparison with the infrared and Raman spectra of crystalline glycine (zwitterion, +NH3CH2COO−) and the infrared spectrum of this molecule isolated in an argon matrix at low temperature (10 K) (neutral form, NH2CH2COOH). Further insight on the features of the vibrational spectra of these substances was achieved by ab initio (HF/6-31G*) frequency and intensity calculations and potential energy distribution calculations resulting from normal coordinate analysis.Elsevier Science B.V1998-03info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/17729http://hdl.handle.net/10316/17729https://doi.org/10.1016/S0924-2031(97)00050-7engRosado, Mário TDuarte, Maria Leonor T. S.Fausto, Ruiinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2021-09-24T10:48:24Zoai:estudogeral.uc.pt:10316/17729Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:43.455138Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Vibrational spectra of acid and alkaline glycine salts
title Vibrational spectra of acid and alkaline glycine salts
spellingShingle Vibrational spectra of acid and alkaline glycine salts
Rosado, Mário T
title_short Vibrational spectra of acid and alkaline glycine salts
title_full Vibrational spectra of acid and alkaline glycine salts
title_fullStr Vibrational spectra of acid and alkaline glycine salts
title_full_unstemmed Vibrational spectra of acid and alkaline glycine salts
title_sort Vibrational spectra of acid and alkaline glycine salts
author Rosado, Mário T
author_facet Rosado, Mário T
Duarte, Maria Leonor T. S.
Fausto, Rui
author_role author
author2 Duarte, Maria Leonor T. S.
Fausto, Rui
author2_role author
author
dc.contributor.author.fl_str_mv Rosado, Mário T
Duarte, Maria Leonor T. S.
Fausto, Rui
description The infrared and Raman spectra of crystalline acid (+NH3CH2COOH·Cl−) and alkaline (Na+·NH2CH2COO−) glycine salts were recorded and interpreted. The assignments were confirmed by comparison with the infrared and Raman spectra of crystalline glycine (zwitterion, +NH3CH2COO−) and the infrared spectrum of this molecule isolated in an argon matrix at low temperature (10 K) (neutral form, NH2CH2COOH). Further insight on the features of the vibrational spectra of these substances was achieved by ab initio (HF/6-31G*) frequency and intensity calculations and potential energy distribution calculations resulting from normal coordinate analysis.
publishDate 1998
dc.date.none.fl_str_mv 1998-03
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://hdl.handle.net/10316/17729
http://hdl.handle.net/10316/17729
https://doi.org/10.1016/S0924-2031(97)00050-7
url http://hdl.handle.net/10316/17729
https://doi.org/10.1016/S0924-2031(97)00050-7
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier Science B.V
publisher.none.fl_str_mv Elsevier Science B.V
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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