Combined maximum-quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures

G N Manjunatha Reddy (1) , Mehdi Yemloul (2) , Stefano Caldarelli (1, 2)

1 ICSN - Institut de Chimie des Substances Naturelles
2 ISM2 - Institut des Sciences Moléculaires de Marseille

We illustrate here as the combination of high-order maximum-quantum (MaxQ) and Diffusion-Ordered SpectroscopY (DOSY) NMR experiments in a 3D layout allows superior resolution for crowded NMR spectra. Non-uniform sampling (NUS) allows compressing the experimental time effectively to reasonable durations. Because diffusion effects were encoded within multiple-quantum co-herences, increased sensitivity to magnetic field gradients is observed, requiring compensation for convection effects. The experiment was demonstrated on the spectra of a mix of small polyaromatic molecules. Specifically, in the case analyzed, the experiment provided an extreme simplification through the MaxQDOSY-MaxQ projection plane that presents one peak per molecule.

Mots clés: multiple-quantum; non-uniform sampling (NUS); mixtures; NMR; DOSY; 1 H

Domaines: Chimie analytique

G N Manjunatha Reddy, Mehdi Yemloul, Stefano Caldarelli. Combined maximum-quantum and DOSY 3D experiments provide enhanced resolution for small molecules in mixtures. Magnetic Resonance in Chemistry, 2017, Diffusion NMR, 55 (5), pp.492-497. ⟨10.1002/mrc.4465⟩. ⟨hal-01783132⟩