Autor(es): Belo, Ezequiel de Andrade ; Pereira, Jose Enedilton Medeiros ; Freire, Paulo de Tarso Cavalcante ; Argyriou, Dimitri N. ; Eckert, Juergen ; Bordallo, Heloisa Nunes
Data: 2018
Origem: Oasisbr
Assunto(s): Densidade funcional; Transformações de fase (Física Estatística); Física do estado sólido; Ligação de hidrogênio; Ciência dos materiais; Aminoácidos; Alanina
Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of d-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of d-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of d-alanine compared with l-alanine.
