Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/10488
DC Field | Value | Language |
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dc.contributor.author | Carvalho, Luís A. E. Batista de | - |
dc.contributor.author | Marques, M. Paula M. | - |
dc.contributor.author | Tomkinson, John | - |
dc.date.accessioned | 2009-07-06T10:49:20Z | - |
dc.date.available | 2009-07-06T10:49:20Z | - |
dc.date.issued | 2006-11-30 | - |
dc.identifier.citation | The Journal of Physical Chemistry A. 110:47 (2006) 12947-12954 | - |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.uri | https://hdl.handle.net/10316/10488 | - |
dc.description.abstract | A 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.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.rights | openAccess | - |
dc.subject | Algorithms | - |
dc.subject | Biogenic Polyamines | - |
dc.subject | Molecular Structure | - |
dc.subject | Neutron Diffraction | - |
dc.subject | Polyamines | - |
dc.subject | Quantum Theory | - |
dc.subject | Spectrum Analysis, Raman | - |
dc.subject | Spermidine | - |
dc.subject | Spermine | - |
dc.title | Transverse Acoustic Modes of Biogenic and α,ω-Polyamines: A Study by Inelastic Neutron Scattering and Raman Spectroscopies Coupled to DFT Calculations | - |
dc.type | article | - |
degois.publication.firstPage | 12947 | - |
degois.publication.lastPage | 12954 | - |
degois.publication.issue | 47 | - |
degois.publication.title | The Journal of Physical Chemistry A | - |
dc.peerreviewed | yes | - |
dc.identifier.doi | 10.1021/jp064837d | - |
degois.publication.volume | 110 | - |
item.openairetype | article | - |
item.languageiso639-1 | en | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
crisitem.author.researchunit | QFM-UC – Molecular Physical-Chemistry R&D Unit | - |
crisitem.author.researchunit | QFM-UC – Molecular Physical-Chemistry R&D Unit | - |
crisitem.author.orcid | 0000-0002-8059-8537 | - |
crisitem.author.orcid | 0000-0002-8391-0055 | - |
Appears in Collections: | FCTUC Ciências da Vida - Artigos em Revistas Internacionais FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
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Transverse Acoustic Modes of Biogenic.pdf | 216.16 kB | Adobe PDF | View/Open |
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