Relative merits of rCW(A) and XiX heteronuclear spin decoupling in solid-state magic-angle-spinning NMR spectroscopy: A bimodal Floquet analysis

J Magn Reson. 2016 Feb:263:55-64. doi: 10.1016/j.jmr.2015.12.019. Epub 2016 Jan 6.

Abstract

We present a bimodal Floquet analysis of the recently introduced refocused continuous wave (rCW) solid-state NMR heteronuclear dipolar decoupling method and compare it with the similar looking X-inverse X (XiX) scheme. The description is formulated in the rf interaction frame and is valid for both finite and ideal π pulse rCW irradiation that forms the refocusing element in the rCW scheme. The effective heteronuclear dipolar coupling Hamiltonian up to first order is described. The analysis delineates the difference between the two sequences to different orders of their Hamiltonians for both diagonal and off-diagonal parts. All the resonance conditions observed in experiments and simulations have been characterised and their influence on residual line broadening is highlighted. The theoretical comparison substantiates the numerical simulations and experimental results to a large extent.

Keywords: Bimodal Floquet theory; Heteronuclear dipolar decoupling; Magic-angle spinning; Non-rotor-synchronisation; Solid-state NMR; XiX decoupling; rCW decoupling.

Publication types

  • Research Support, Non-U.S. Gov't