Simulations of chemical exchange lineshapes in CP/MAS spectra using Floquet theory and sparse matrix methods

P Hazendonk, AD Bain, H Grondey…

Index: Hazendonk; Bain, Alex D.; Grondey; Harrison; Dumont Journal of Magnetic Resonance, 2000 , vol. 146, # 1 p. 33 - 42

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Citation Number: 13

Abstract

This paper presents a general method for simulating the effect of chemical exchange on MAS NMR spectra of solid samples. The complication in MAS spectra is that the Hamiltonian itself is time-dependent, due to the spinning of the sample. The approach taken in this work is to use Floquet theory to convert the problem into a time-independent form, and then use established methods (used in liquid NMR simulations) to calculate the lineshape. Floquet ...