Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/10488
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dc.contributor.authorCarvalho, Luís A. E. Batista de-
dc.contributor.authorMarques, M. Paula M.-
dc.contributor.authorTomkinson, John-
dc.date.accessioned2009-07-06T10:49:20Z-
dc.date.available2009-07-06T10:49:20Z-
dc.date.issued2006-11-30-
dc.identifier.citationThe Journal of Physical Chemistry A. 110:47 (2006) 12947-12954-
dc.identifier.issn1089-5639-
dc.identifier.urihttp://hdl.handle.net/10316/10488-
dc.description.abstractA complete analysis of the transverse acoustic modes (TAMs) for the homologous series of α,ω-diamines (H2N(CH2)nNH2) (n = 2−10, n = 12) as well as for the biogenic polyamines spermidine and spermine was undertaken, by Raman and inelastic neutron scattering (INS) spectroscopies combined with density functional theory (DFT) calculations. A complete assignment of the whole set of TAMs was carried out, for both the undeuterated and N-deuterated species. 1,2-Diaminoethane was found to display exceptional behavior, probably due to the formation of dimers in the solid state. An n-even/n-odd dependence of the low frequency INS pattern was observed for these polyamines. The very good accordance between their INS experimental TAMs and the ones previously reported for the corresponding n-alkanes suggest a close conformational similarity between these systems.-
dc.language.isoeng-
dc.publisherAmerican Chemical Society-
dc.rightsopenAccess-
dc.subjectAlgorithms-
dc.subjectBiogenic Polyamines-
dc.subjectMolecular Structure-
dc.subjectNeutron Diffraction-
dc.subjectPolyamines-
dc.subjectQuantum Theory-
dc.subjectSpectrum Analysis, Raman-
dc.subjectSpermidine-
dc.subjectSpermine-
dc.titleTransverse Acoustic Modes of Biogenic and α,ω-Polyamines: A Study by Inelastic Neutron Scattering and Raman Spectroscopies Coupled to DFT Calculations-
dc.typearticle-
degois.publication.firstPage12947-
degois.publication.lastPage12954-
degois.publication.issue47-
degois.publication.titleThe Journal of Physical Chemistry A-
dc.peerreviewedyes-
dc.identifier.doi10.1021/jp064837d-
degois.publication.volume110-
item.languageiso639-1en-
item.fulltextCom Texto completo-
item.grantfulltextopen-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.researchunitQFM-UC – Molecular Physical-Chemistry R&D Unit-
crisitem.author.researchunitQFM-UC – Molecular Physical-Chemistry R&D Unit-
crisitem.author.orcid0000-0002-8059-8537-
crisitem.author.orcid0000-0002-8391-0055-
Appears in Collections:FCTUC Ciências da Vida - Artigos em Revistas Internacionais
FCTUC Química - Artigos em Revistas Internacionais
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