Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal
Autor(a) principal: | |
---|---|
Data de Publicação: | 2007 |
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/10316/5055 https://doi.org/10.1016/j.vibspec.2006.04.025 |
Resumo: | The IR spectra (4000-400Â cm-1) of neat and isotopically substituted (ND/ODÂ <=Â 10% D and [congruent with]30% D) polycrystalline l-serine ([alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-) were recorded in the temperature range 300-10Â K and assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used for estimating the lengths and energies of the different H-bonds present in l-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 l-serine molecules) were used, together with previously developed empirical correlations between these spectral parameters and the H-bond properties. In addition, the room-temperature Raman spectrum (4000-150Â cm-1) of a single crystal of neat l-serine was also recorded and interpreted. A systematic comparison was made between the spectroscopic data obtained currently for l-serine and previously for dl-serine, revealing that the vibrational spectra of the two crystals reflect well the different characteristics of their hydrogen-bond networks, and also correlate accurately with the different susceptibility of the two crystals to pressure-induced strain. |
id |
RCAP_60ced737b3073570b16afc59c1a5cf4f |
---|---|
oai_identifier_str |
oai:estudogeral.uc.pt:10316/5055 |
network_acronym_str |
RCAP |
network_name_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository_id_str |
7160 |
spelling |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystall-SerineH-bondingLow-temperature IR spectraIsotopic dilutionThe IR spectra (4000-400Â cm-1) of neat and isotopically substituted (ND/ODÂ <=Â 10% D and [congruent with]30% D) polycrystalline l-serine ([alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-) were recorded in the temperature range 300-10Â K and assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used for estimating the lengths and energies of the different H-bonds present in l-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 l-serine molecules) were used, together with previously developed empirical correlations between these spectral parameters and the H-bond properties. In addition, the room-temperature Raman spectrum (4000-150Â cm-1) of a single crystal of neat l-serine was also recorded and interpreted. A systematic comparison was made between the spectroscopic data obtained currently for l-serine and previously for dl-serine, revealing that the vibrational spectra of the two crystals reflect well the different characteristics of their hydrogen-bond networks, and also correlate accurately with the different susceptibility of the two crystals to pressure-induced strain.http://www.sciencedirect.com/science/article/B6THW-4K4WMR3-2/1/211ac428c09ebc9eb45cf3b81d93fcb02007info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5055http://hdl.handle.net/10316/5055https://doi.org/10.1016/j.vibspec.2006.04.025engVibrational Spectroscopy. 43:2 (2007) 395-404Jarmelo, S.Reva, I.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:10316/5055Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:28.879177Repositório 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 |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
title |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
spellingShingle |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal Jarmelo, S. l-Serine H-bonding Low-temperature IR spectra Isotopic dilution |
title_short |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
title_full |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
title_fullStr |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
title_full_unstemmed |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
title_sort |
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal |
author |
Jarmelo, S. |
author_facet |
Jarmelo, S. Reva, I. Carey, P. R. Fausto, R. |
author_role |
author |
author2 |
Reva, I. Carey, P. R. Fausto, R. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Jarmelo, S. Reva, I. Carey, P. R. Fausto, R. |
dc.subject.por.fl_str_mv |
l-Serine H-bonding Low-temperature IR spectra Isotopic dilution |
topic |
l-Serine H-bonding Low-temperature IR spectra Isotopic dilution |
description |
The IR spectra (4000-400Â cm-1) of neat and isotopically substituted (ND/ODÂ <=Â 10% D and [congruent with]30% D) polycrystalline l-serine ([alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-) were recorded in the temperature range 300-10Â K and assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used for estimating the lengths and energies of the different H-bonds present in l-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 l-serine molecules) were used, together with previously developed empirical correlations between these spectral parameters and the H-bond properties. In addition, the room-temperature Raman spectrum (4000-150Â cm-1) of a single crystal of neat l-serine was also recorded and interpreted. A systematic comparison was made between the spectroscopic data obtained currently for l-serine and previously for dl-serine, revealing that the vibrational spectra of the two crystals reflect well the different characteristics of their hydrogen-bond networks, and also correlate accurately with the different susceptibility of the two crystals to pressure-induced strain. |
publishDate |
2007 |
dc.date.none.fl_str_mv |
2007 |
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/10316/5055 http://hdl.handle.net/10316/5055 https://doi.org/10.1016/j.vibspec.2006.04.025 |
url |
http://hdl.handle.net/10316/5055 https://doi.org/10.1016/j.vibspec.2006.04.025 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Vibrational Spectroscopy. 43:2 (2007) 395-404 |
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 |
instname_str |
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) |
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 |
repository.mail.fl_str_mv |
|
_version_ |
1799133906327306240 |