Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/17842
DC FieldValueLanguage
dc.contributor.authorRozenberg, M.-
dc.contributor.authorShoham, G.-
dc.contributor.authorReva, I.-
dc.contributor.authorFausto, R.-
dc.date.accessioned2011-12-06T16:08:03Z-
dc.date.available2011-12-06T16:08:03Z-
dc.date.issued2004-01-
dc.identifier.urihttp://hdl.handle.net/10316/17842-
dc.description.abstractThe FTIR spectra of both the pure NH and isotopically substituted ND (<10% and >90% D) polycrystalline cytosine were recorded in the range 400–4000 cm−1 as a function of temperature (10–300 K). For the first time, uncoupled NH(D) stretching mode bands of amine and imine groups were observed in the spectra of isotopically diluted cytosine at low temperatures. These bands correspond to the three distinct H-bonds that are present in the crystal, in agreement with the available data obtained by structural methods. At least nine bands were observed below 1000 cm−1 and, in consonance with their temperature and isotopic exchange behavior, were assigned to the NH proton out-of-the-plane bending modes. Six of these bands were found to correspond to additional “disordered” H-bonds, which could not be observed by structural methods. Empirical correlations of spectral and thermodynamic parameters enabled to estimate the contribution of the H-bonds to the sublimation enthalpy of the crystal, in agreement with independent experimental data.por
dc.language.isoengpor
dc.publisherElsevier Sciencepor
dc.rightsopenAccesspor
dc.titleLow temperature FTIR spectroscopy and hydrogen bonding in cytosine polycrystalspor
dc.typearticlepor
degois.publication.firstPage463por
degois.publication.lastPage470por
degois.publication.titleSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopypor
dc.peerreviewedYespor
dc.identifier.doi10.1016/S1386-1425(03)00251-8-
degois.publication.volume60por
item.fulltextCom Texto completo-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.deptFaculdade de Ciências e Tecnologia, Universidade de Coimbra-
crisitem.author.parentdeptUniversidade de Coimbra-
crisitem.author.researchunitCoimbra Chemistry Center-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:FEUC- Artigos em Revistas Internacionais
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