Indirect detection of broad spectra in solid-state NMR using interleaved DANTE trains

Journal of Magnetic Resonance
Yixuan LiOlivier Lafon

Abstract

We analyze the performances and the optimization of 1H-{I} HMQC experiments using basic and interleaved DANTE schemes for the indirect detection of nuclei I = 1/2 or 1 exhibiting wide lines dominated by chemical shift anisotropy (CSA) or quadrupole interaction, respectively. These sequences are first described using average Hamiltonian theory. Then, we analyze using numerical simulations (i) the optimal lengths of the DANTE train and the individual pulses, (ii) the robustness of these experiments to offset, and (iii) the optimal choice of the defocusing and refocusing times for both 1H-{I} J- and D-HMQC sequences for 195Pt (I = 1/2) and 14N (I = 1) nuclei subject to large CSA and quadrupole interaction, respectively. These simulations are compared to 1H-{14N} D-HMQC experiments on γ-glycine and L-histidine.HCl at B0 = 18.8 T and MAS frequency of 62.5 kHz. The present study shows that (i) the optimal defocusing and refocusing times do not depend on the chosen DANTE scheme, (ii) the DANTE trains must be applied with the highest rf-field compatible with the probe specifications and the stability of the sample, (iii) the excitation bandwidth along the indirect dimension of HMQC sequence using DANTE trains is inversely proportional ...Continue Reading

Citations

Jun 12, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·David L Bryce
May 9, 2021·Journal of Magnetic Resonance·Amrit VenkateshAaron J Rossini
Oct 23, 2020·Journal of the American Chemical Society·Amrit VenkateshAaron J Rossini

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