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固态核磁共振中的连续弗洛凯理论。

Continuous Floquet theory in solid-state NMR.

作者信息

Chávez Matías, Ernst Matthias

机构信息

Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.

出版信息

J Chem Phys. 2024 Jun 28;160(24). doi: 10.1063/5.0213078.

Abstract

This article presents the application of continuous Floquet theory in solid-state nuclear magnetic resonance (NMR). Continuous Floquet theory extends the traditional Floquet theory to non-continuous Hamiltonians, enabling the description of observable effects not fully captured by the traditional Floquet theory due to its requirement for a periodic Hamiltonian. We present closed-form expressions for computing first- and second-order effective Hamiltonians, streamlining integration with the traditional Floquet theory and facilitating application in NMR experiments featuring multiple modulation frequencies. Subsequently, we show examples of the practical application of continuous Floquet theory by investigating several solid-state NMR experiments. These examples illustrate the importance of the duration of the pulse scheme regarding the width of the resonance conditions and the near-resonance behavior.

摘要

本文介绍了连续弗洛凯理论在固态核磁共振(NMR)中的应用。连续弗洛凯理论将传统弗洛凯理论扩展到非连续哈密顿量,能够描述由于传统弗洛凯理论要求哈密顿量具有周期性而未完全捕捉到的可观测效应。我们给出了用于计算一阶和二阶有效哈密顿量的闭式表达式,简化了与传统弗洛凯理论的整合,并便于在具有多个调制频率的NMR实验中应用。随后,我们通过研究几个固态NMR实验展示了连续弗洛凯理论的实际应用示例。这些示例说明了脉冲序列持续时间对于共振条件宽度和近共振行为的重要性。

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