Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives
Autor(a) principal: | |
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Data de Publicação: | 2006 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/5082 https://doi.org/10.1016/j.vibspec.2005.12.013 |
Resumo: | The FT-IR spectra of polycrystalline dl-serine [[alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-] and isotopically substituted [ND/ODAlcohol (<10% and >90% D); CD2 (>98% D)] dl-serine were recorded in the range 4000-500Â cm-1 in the temperature range 300-10Â K, and fully assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used to estimate the energies of the different H-bonds present in dl-serine crystal. To this end, the frequency shifts observed in both the NH/OH stretching and out-of-plane bending spectral regions (relatively to reference values for these vibrations in non-hydrogen-bonded dl-serine molecules) were used, together with previously developed empirical correlations. The results are compared with available structural data on this amino acid. |
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Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivativesdl-serineH-bondingLow-temperature IR spectraIsotopic dilutionThe FT-IR spectra of polycrystalline dl-serine [[alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-] and isotopically substituted [ND/ODAlcohol (<10% and >90% D); CD2 (>98% D)] dl-serine were recorded in the range 4000-500Â cm-1 in the temperature range 300-10Â K, and fully assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used to estimate the energies of the different H-bonds present in dl-serine crystal. To this end, the frequency shifts observed in both the NH/OH stretching and out-of-plane bending spectral regions (relatively to reference values for these vibrations in non-hydrogen-bonded dl-serine molecules) were used, together with previously developed empirical correlations. The results are compared with available structural data on this amino acid.http://www.sciencedirect.com/science/article/B6THW-4J91R39-2/1/f8f35f435466c8a5204879d330cbadec2006info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5082http://hdl.handle.net/10316/5082https://doi.org/10.1016/j.vibspec.2005.12.013engVibrational Spectroscopy. 41:1 (2006) 73-82Jarmelo, S.Reva, I.Rozenberg, M.Carey, P. R.Fausto, R.info: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:RCAAP2020-11-06T16:59:25Zoai:estudogeral.uc.pt:10316/5082Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:30.157210Repositório 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 |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
title |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
spellingShingle |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives Jarmelo, S. dl-serine H-bonding Low-temperature IR spectra Isotopic dilution |
title_short |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
title_full |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
title_fullStr |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
title_full_unstemmed |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
title_sort |
Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives |
author |
Jarmelo, S. |
author_facet |
Jarmelo, S. Reva, I. Rozenberg, M. Carey, P. R. Fausto, R. |
author_role |
author |
author2 |
Reva, I. Rozenberg, M. Carey, P. R. Fausto, R. |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Jarmelo, S. Reva, I. Rozenberg, M. Carey, P. R. Fausto, R. |
dc.subject.por.fl_str_mv |
dl-serine H-bonding Low-temperature IR spectra Isotopic dilution |
topic |
dl-serine H-bonding Low-temperature IR spectra Isotopic dilution |
description |
The FT-IR spectra of polycrystalline dl-serine [[alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-] and isotopically substituted [ND/ODAlcohol (<10% and >90% D); CD2 (>98% D)] dl-serine were recorded in the range 4000-500Â cm-1 in the temperature range 300-10Â K, and fully assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used to estimate the energies of the different H-bonds present in dl-serine crystal. To this end, the frequency shifts observed in both the NH/OH stretching and out-of-plane bending spectral regions (relatively to reference values for these vibrations in non-hydrogen-bonded dl-serine molecules) were used, together with previously developed empirical correlations. The results are compared with available structural data on this amino acid. |
publishDate |
2006 |
dc.date.none.fl_str_mv |
2006 |
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/10316/5082 http://hdl.handle.net/10316/5082 https://doi.org/10.1016/j.vibspec.2005.12.013 |
url |
http://hdl.handle.net/10316/5082 https://doi.org/10.1016/j.vibspec.2005.12.013 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Vibrational Spectroscopy. 41:1 (2006) 73-82 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
aplication/PDF |
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 instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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1799133906368200704 |