Residual proton line width under refocused frequency-switched Lee-Goldburg decoupling in MAS NMR.

ABSTRACT: Despite many decades of research, homonuclear decoupling in solid-state NMR under magic-angle spinning (MAS) has yet to reach a point where the achievable proton line widths become comparable to the resolution obtained in solution-state NMR. This makes the precise determination of isotropic chemical shifts difficult and thus presents a limiting factor in the application of proton solid-state NMR to biomolecules and small molecules. In this publication we analyze the sources of the residual line width in refocused homonuclear-decoupled spectra in detail by comparing numerical simulations and experimental data. Using a hybrid analytical/numerical approach based on Floquet theory, we find that third-order effective Hamiltonian terms are required to realistically characterize the line shape an

SUBMITTER: Aebischer K 

PROVIDER: S-EPMC10155489 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature