Pure isotropic proton NMR spectra in solids using deep learning

DOI

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 1H solid-state NMR spectra with isotropic linewidths in the 50-400 Hz range.

Identifier
DOI https://doi.org/10.24435/materialscloud:a7-59
Related Identifier https://doi.org/10.1002/anie.202216607
Related Identifier https://github.com/manucordova/PIPNet
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:jk-zx
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:1595
Provenance
Creator Cordova, Manuel; Moutzouri, Pinelopi; Simões de Almeida, Bruno; Torodii, Daria; Emsley, Lyndon
Publisher Materials Cloud
Contributor Cordova, Manuel; Emsley, Lyndon
Publication Year 2022
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution Share Alike 4.0 International; https://creativecommons.org/licenses/by-sa/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/zip; text/markdown
Discipline Materials Science and Engineering