Leskes Michal, Thakur Rajendra Singh, Madhu P K, Kurur Narayanan D, Vega Shimon
Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100, Israel.
J Chem Phys. 2007 Jul 14;127(2):024501. doi: 10.1063/1.2746039.
A theoretical treatment of heteronuclear dipolar decoupling in solid-state nuclear magnetic resonance is presented here based on bimodal Floquet theory. The conditions necessary for good heteronuclear decoupling are derived. An analysis of a few of the decoupling schemes implemented until date is presented with regard to satisfying such decoupling conditions and efficiency of decoupling. Resonance conditions for efficient heteronuclear dipolar decoupling are derived with and without the homonuclear (1)H-(1)H dipolar couplings and their influence on heteronuclear dipolar decoupling is pointed out. The analysis points to the superior efficiency of the newly introduced swept two-pulse phase-modulation (SW(f)-TPPM) sequence. It is shown that the experimental robustness of SW(f)-TPPM as compared to the original TPPM sequence results from an adiabatic sweeping of the modulation frequencies. Based on this finding alternative strategies are compared here. The theoretical findings are corroborated by both numerical simulations and representative experiments.
本文基于双峰弗洛凯理论,对固态核磁共振中的异核偶极去耦进行了理论探讨。推导了实现良好异核去耦所需的条件。针对满足此类去耦条件和去耦效率,对迄今实施的几种去耦方案进行了分析。推导了存在和不存在同核(1)H - (1)H偶极耦合时高效异核偶极去耦的共振条件,并指出了它们对异核偶极去耦的影响。分析表明新引入的扫频双脉冲相位调制(SW(f)-TPPM)序列具有更高的效率。结果表明,与原始TPPM序列相比,SW(f)-TPPM的实验稳健性源于调制频率的绝热扫描。基于这一发现,在此比较了替代策略。数值模拟和代表性实验均证实了理论研究结果。