Document Type
Article
Publication Date
1-2018
Keywords
chirality, structure analysis, configurational change, density-functional-theory-based methods, phase transitions, intermolecular interactions, properties of solids, hydrogen bonding, materials science
Digital Object Identifier (DOI)
https://doi.org/10.1107/S2052252517015573
Abstract
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.
Was this content written or created while at USF?
Yes
Citation / Publisher Attribution
International Union of Crystallography Journal, v. 5, issue 1, p. 6-12
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Scholar Commons Citation
Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T.; Argyriou, Dimitri N.; Eckert, Juergen; and Bordallo, Heloisa N, "Hydrogen Bonds in Crystalline D-alanine: Diffraction and Spectroscopic Evidence for Differences Between Enantiomers" (2018). Chemistry Faculty Publications. 56.
https://digitalcommons.usf.edu/chm_facpub/56
