Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers
| Autor: | Belo, Ezequiel de Andrade, Pereira, Jose Enedilton Medeiros, Freire, Paulo de Tarso Cavalcante, Argyriou, Dimitri N., Eckert, Juergen, Bordallo, Heloisa Nunes |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Repositório Institucional da Universidade Federal do Ceará (UFC) Universidade Federal do Ceará (UFC) instacron:UFC |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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