Please use this identifier to cite or link to this item: http://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: http://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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