Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5082
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dc.contributor.authorJarmelo, S.-
dc.contributor.authorReva, I.-
dc.contributor.authorRozenberg, M.-
dc.contributor.authorCarey, P. R.-
dc.contributor.authorFausto, R.-
dc.date.accessioned2008-09-01T15:03:38Z-
dc.date.available2008-09-01T15:03:38Z-
dc.date.issued2006en_US
dc.identifier.citationVibrational Spectroscopy. 41:1 (2006) 73-82en_US
dc.identifier.urihttp://hdl.handle.net/10316/5082-
dc.description.abstractThe 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 4000-500 cm-1 in the temperature range 300-10 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.en_US
dc.description.urihttp://www.sciencedirect.com/science/article/B6THW-4J91R39-2/1/f8f35f435466c8a5204879d330cbadecen_US
dc.format.mimetypeaplication/PDFen
dc.language.isoengeng
dc.rightsopenAccesseng
dc.subjectdl-serineen_US
dc.subjectH-bondingen_US
dc.subjectLow-temperature IR spectraen_US
dc.subjectIsotopic dilutionen_US
dc.titleLow-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivativesen_US
dc.typearticleen_US
uc.controloAutoridadeSim-
item.fulltextCom Texto completo-
item.languageiso639-1en-
item.grantfulltextopen-
crisitem.author.deptFaculdade de Ciências e Tecnologia, Universidade de Coimbra-
crisitem.author.deptFaculdade de Ciências e Tecnologia, Universidade de Coimbra-
crisitem.author.parentdeptUniversidade de Coimbra-
crisitem.author.parentdeptUniversidade de Coimbra-
crisitem.author.researchunitCoimbra Chemistry Center-
crisitem.author.researchunitCoimbra Chemistry Center-
crisitem.author.orcid0000-0001-5983-7743-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
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