Litcius/Paper detail

Pure Isotropic Proton NMR Spectra in Solids using Deep Learning

Manuel Cordova, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii, Lyndon Emsley

2022Angewandte Chemie International Edition34 citationsDOIOpen Access PDF

Abstract

Abstract The resolution of proton solid‐state NMR spectra is usually limited by broadening arising from dipolar interactions between spins. Magic‐angle spinning alleviates this broadening by inducing coherent averaging. However, even the highest spinning rates experimentally accessible today are not able to completely remove dipolar interactions. Here, we introduce a deep learning approach to determine pure isotropic proton spectra from a two‐dimensional set of magic‐angle spinning spectra acquired at different spinning rates. Applying the model to 8 organic solids yields high‐resolution 1 H solid‐state NMR spectra with isotropic linewidths in the 50–400 Hz range.

Topics & Concepts

Magic angle spinningSpinningIsotropySpinsSpectral lineProtonMagic angleSolid-state nuclear magnetic resonanceDipoleNMR spectra databaseNuclear magnetic resonanceMaterials scienceMolecular physicsNuclear magnetic resonance spectroscopyChemistryPhysicsOpticsCondensed matter physicsNuclear physicsOrganic chemistryQuantum mechanicsPolymer chemistryAdvanced NMR Techniques and ApplicationsNMR spectroscopy and applicationsSolid-state spectroscopy and crystallography