Publication Date:
2017-11-15
Description:
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.
Keywords:
chiralitystructure analysisconfigurational changedensity-functional-theory-based methodsphase transitionsintermolecular interactionsproperties of solidshydrogen bondingmaterials science
Electronic ISSN:
2052-2525
Topics:
Geosciences
,
Physics
Permalink