Single-Crystal NMR for ¹⁷O in Alanine Enantiomers.

ABSTRACT: Single-crystal solid-state nuclear magnetic resonance (ssNMR) spectroscopy, which enables detailed analysis of the electronic structures of crystalline molecules, offers a unique opportunity to investigate molecular chiralityan essential feature with broad implications for understanding the origin and function of life. In this study, we employ single-crystal ssNMR spectroscopy, in combination with X-ray diffraction and density functional theory (DFT) calculations, to examine the electronic structure of ¹⁷O nuclei in crystalline forms of alanine enantiomers. Eight magnetically nonequivalent ¹⁷O resonances within the unit cell were observed and successfully assigned, and their corresponding NMR tensor parameters were determined. These resonances are comprised of pairs

SUBMITTER: Agarwal S 

PROVIDER: S-EPMC12856672 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature