Study of Biogenic and α,ω-Polyamines by Combined Inelastic Neutron Scattering and Raman Spectroscopies and by Ab Initio Molecular Orbital Calculations
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...
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| Outros Autores: | , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2002
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| Texto completo: | http://hdl.handle.net/10316/10420 |
| País: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/10420 |
| Resumo: | 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). |
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