Hydrogen bonds in crystalline d -alanine: Diffraction and spectroscopic evidence for differences between enantiomers

Ezequiel A. Belo, Jose E.M. Pereira, Paulo T.C. Freire, Dimitri N. Argyriou, Juergen Eckert, Heloisa N. Bordallo

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

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.

Original languageEnglish
Pages (from-to)6-12
Number of pages7
JournalIUCrJ
Volume5
DOIs
StatePublished - 2018

Keywords

  • chirality
  • configurational change
  • density-functional-theory-based methods
  • hydrogen bonding
  • intermolecular interactions
  • materials science
  • phase transitions
  • properties of solids
  • structure analysis

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