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https://hdl.handle.net/10316/10420
Title: | Study of Biogenic and α,ω-Polyamines by Combined Inelastic Neutron Scattering and Raman Spectroscopies and by Ab Initio Molecular Orbital Calculations | Authors: | Marques, M. Paula M. Carvalho, Luís A. E. Batista de Tomkinson, John |
Issue Date: | 21-Mar-2002 | Publisher: | American Chemical Society | Citation: | The Journal of Physical Chemistry A. 106:11 (2002) 2473-2482 | Serial title, monograph or event: | The Journal of Physical Chemistry A | Volume: | 106 | Issue: | 11 | Abstract: | A study of the biogenic polyamines spermidine and spermine, as well as of the diamines H2N(CH2)nNH2 (n = 2−10 and n = 12), was carried out by both inelastic neutron scattering (INS) and Raman spectroscopies, for both their undeuterated and N-deuterated forms. Ab initio density functional theory (DFT) methods were also used, to obtain the calculated vibrational spectra of those molecules. A thorough vibrational analysis was performed, leading to the assignment of the solid-state spectra, both Raman and INS, of the polyamines studied, comprising all their longitudinal acoustic modes (LAM's). | URI: | https://hdl.handle.net/10316/10420 | ISSN: | 1089-5639 | DOI: | 10.1021/jp013553k | Rights: | openAccess |
Appears in Collections: | FCTUC Ciências da Vida - Artigos em Revistas Internacionais FCTUC Química - Artigos em Revistas Internacionais |
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Study of Biogenic and a,w-Polyamines.pdf | 136.15 kB | Adobe PDF | View/Open |
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