Spatially Resolved 13C NMR Spectroscopy in Bimesophasic Samples Applied to Molecular Analysis in Orienting Media

Magn Reson Chem. 2025 Jul 1. doi: 10.1002/mrc.70003. Online ahead of print.

Abstract

The use of lyotropic, chiral bimesophasic systems and spatially resolved 2H nD NMR spectroscopy has recently been pioneered (J. Phys. Chem. Lett. 2024) as an original tool capable of providing two independent sets of anisotropic spectral data with a single NMR sample. In this work, we explore the analytical potential of spatially localized 13C and 13C-{1H} 1D and 2D NMR experiments (CLIP-HSQC, TCH-resolved) combined with bimesophasic samples composed of polypeptide and polyacetylene chiral polymers (PBLG and L-MSP). The effectiveness of this original anisotropic approach is being explored in the context of the enantiomeric analysis of chiral molecules such as ibuprofen, as well as the configurational and 3D structural analysis of multi-stereocenter chiral compounds (case of (+)-IPC).

Keywords: 13C RCSA and 13C‐1H RDC; anisotropic 13C NMR; bimesophasic systems; polyacetylene and polypeptide polymers; small chiral molecules; spatially resolved experiments.