A continuous approach to Floquet theory for pulse-sequence optimization in solid-state NMR

We present a framework that uses a continuous frequency space to describe and design solid-state nuclear magnetic resonance (NMR) experiments. The approach is similar to the well-established Floquet treatment for NMR, but it is not restricted to periodic Hamiltonians and allows the design of experim...

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Bibliographic Details
Published in:The Journal of chemical physics 2022-11, Vol.157 (18), p.184103-184103
Main Authors: Chávez, Matías, Ernst, Matthias
Format: Article
Language:English
Subjects:
Mathematical analysis
NMR
Nuclear magnetic resonance
Optimization
Perturbation theory
Physics
Solid state
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Summary:We present a framework that uses a continuous frequency space to describe and design solid-state nuclear magnetic resonance (NMR) experiments. The approach is similar to the well-established Floquet treatment for NMR, but it is not restricted to periodic Hamiltonians and allows the design of experiments in a reverse fashion. The framework is based on perturbation theory on a continuous Fourier space, which leads to effective, i.e., time-independent, Hamiltonians. It allows the back-calculation of the pulse scheme from the desired effective Hamiltonian as a function of spin-system parameters. We show as an example how to back-calculate the rf irradiation in the MIRROR experiment from the desired chemical-shift offset behavior of the sequence.
ISSN:0021-9606
1089-7690
DOI:10.1063/5.0109229