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Applications of Floquet-Magnus and fer expansion Approaches during Cross Polarization Radiation in Solid State NMR

Journal of Modern Physics 2023年第7期14卷 1136-1156页

作者： Eugene Stephane Mananga Thibault Charpentier Program of Physics & Ph. D Program of Chemistry Graduate Center The City University of New York New York NY USA Department of Applied Physics New York University Brooklyn New York USA Department of Engineering Physics and Technology BCC The City University of New York Bronx New York USA CEA IRAMIS Service Interdisciplinaire sur les Systèmes Moléculaires et Matériaux LSDRM UMR CEA/CNRS Gif-sur-Yvette

This paper investigates the concept of Cross Polarization (CP) experiment in addition to revisiting the two potential expansion schemes recently developed in the field of solid-state nuclear magnetic resonance (SSNMR): namely, the Floquet-Magnus expansion and the fer expansion. We use the aforementioned expansion schemes for the calculation of effective Hamiltonians and propagators when the spin system undergoes Cross Polarization radiation. CP is the gateway experiment into SSNMR. An in-depth comprehension of the underlying mechanics of spin dynamics during the cross-polarization experiment is pivotal for further experimental developments and optimization of more complex solid-state NMR experiments. The main contribution of this work is a prospect related to spin physics;particularly regarding to generalization of the calculation. This work reports original yet interesting novel ideas and developments that include calculations performed on the CP experiment. In fact, the approach presented could play a major role in the interpretation of several fine NMR experiments in solids, which would in turn provide significant new insights in spin physics. The generality of the work points towards potential applications in problems related in solid-state NMR and theoretical developments of spectroscopy as well as interdisciplinary research areas as long as they include spin dynamics concepts.

关键词： Cross Polarization Solid-State NMR Floquet-Magnus expansion fer expansion Spin Dynamics

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