Floquet-Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance Spectra

Eugene Stephane Mananga (1, 2) , Thibault Charpentier (3)

1 HMS - Harvard Medical School [Boston]
2 CUNY - City University of New York [New York]
3 LSDRM - Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)

Abstract In this paper we present a theoretical perturbative approach for describing the NMR spectrum of strongly dipolar-coupled spin systems under fast magic-angle spinning. Our treatment is based on two approaches: the Floquet approach and the Floquet-Magnus expansion. The Floquet approach is well known in the NMR community as a perturbative approach to get analytical approximations. Numerical procedures are based on step-by-step numerical integration of the corresponding differential equations. The Floquet-Magnus expansion is a perturbative approach of the Floquet theory. Furthermore, we address the “ γ - encoding” effect using the Floquet-Magnus expansion approach. We show that the average over “ γ ” angle can be performed for any Hamiltonian with γ symmetry.

Mots clés: Floquet theory; Floquet-Magnus expansion; Magic-angle spinning; Gamma encoding; Nuclear magnetic resonance

Domaines: Chimie-Physique [physics.chem-ph]

Eugene Stephane Mananga, Thibault Charpentier. Floquet-Magnus expansion for general N-coupled spins systems in magic-angle spinning nuclear magnetic resonance Spectra. Chemical Physics, 2015, 450–451, pp.83-90. ⟨10.1016/j.chemphys.2015.02.006⟩. ⟨hal-01157460⟩