论文标题

固态NMR中的相互作用框架:化学转移选择性辐照方案的案例研究

Interaction frames in solid-state NMR: A case study for chemical-shift-selective irradiation schemes

论文作者

Chávez, Matías, Ernst, Matthias

论文摘要

相互作用框架在描述和理解磁共振中的实验方案方面起着重要作用。它们通常用于消除旋转汉密尔顿的主导部分,例如通常(Zeeman)旋转框架中的Zeeman Hamiltonian,或射频频场(RF)Hamiltonian描述脱钩或再耦合序列的效率。进入相互作用框架还可以使时间依赖时间的汉密尔顿时间独立,就像常规(Zeeman)旋转框架中的RF场汉密尔顿人一样。消除主要术语通常可以更好地理解旋转动力学的细节。进入相互作用框架还可以减少哈密顿量中的能量水平分裂,从而导致扰动扩张,平均哈密顿量或浮雕理论的更快收敛。通常,没有明显的使用互动框架可以使用的选择,但是有些可以比其他互动框架更方便。以频率选择性偶极性重耦的示例,我们讨论了相互作用框架不同选择的差异,优势和缺点。它们始终包括完整的射频哈密顿量,但还可以包含旋转的化学移位,并且在脉冲序列的一个循环中可能会或可能不包含有效场。

Interaction frames play an important role in describing and understanding experimental schemes in magnetic resonance. They are often used to eliminate dominating parts of the spin Hamiltonian, e.g., the Zeeman Hamiltonian in the usual (Zeeman) rotating frame, or the radio-frequency-field (rf) Hamiltonian to describe the efficiency of decoupling or recoupling sequences. Going into an interaction frame can also make parts of a time-dependent Hamiltonian time independent like the rf-field Hamiltonian in the usual (Zeeman) rotating frame. Eliminating the dominant term often allows a better understanding of the details of the spin dynamics. Going into an interaction frame can also reduce the energy-level splitting in the Hamiltonian leading to a faster convergence of perturbation expansions, average Hamiltonian, or Floquet theory. Often, there is no obvious choice of the interaction frame to use but some can be more convenient than others. Using the example of frequency-selective dipolar recoupling, we discuss the differences, advantages, and disadvantages of different choices of interaction frames. They always include the complete radio-frequency Hamiltonian but can also contain the chemical shifts of the spins and may or may not contain the effective fields over one cycle of the pulse sequence.

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