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首页> 外文期刊>Physical chemistry chemical physics: PCCP >~1H and ~(19)F ultra-fast MAS double-quantum single-quantum NMR correlation experiments using three-spin terms of the dipolar homonuclear Hamiltonian
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~1H and ~(19)F ultra-fast MAS double-quantum single-quantum NMR correlation experiments using three-spin terms of the dipolar homonuclear Hamiltonian

机译：使用偶极同核哈密顿量的三旋项的〜1H和〜（19）F超快MAS双量子单量子NMR相关实验

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摘要

Measuring internuclear distances through dipolar interaction is a major challenge for solid-state nuclear magnetic resonance (NMR) spectroscopy. Obtaining reliable interatomic distances provides an access to the local structure in ordered or disordered solids. We show that at magic angle spinning (MAS) frequencies larger than ca. 50 kHz, some of the three-spin terms of the homogeneous homonuclear dipolar Hamiltonian can be used to promote the creation of double-quantum coherences between neighbouring ~1H or ~(19)F spins without using dipolar recoupling pulse sequences in the Dipolar Homonuclear Homogeneous Hamiltonian (DH~3) double-quantum/single-quantum correlation experiment. This makes it possible to probe inter-nuclear spatial proximity with limited risk of probe or sample damage from radio-frequency (RF) irradiation, and is fully appropriate for fast repetition rate offering sensitivity gains in favourable cases. Experimental demonstrations are supported by multi-spin numerical simulations, which points to new possibilities for the characterization of spin-system geometries.
机译：通过偶极相互作用测量核间距是固态核磁共振（NMR）光谱学的主要挑战。获得可靠的原子间距离可以访问有序或无序固体中的局部结构。我们表明，在幻角旋转（MAS）频率大于ca。 50 kHz，同质同核偶极哈密顿量的某些三自旋项可用于促进在相邻的〜1H或〜（19）F自旋之间建立双量子相干，而无需在偶极同质的偶极子中使用偶极耦合脉冲序列哈密​​顿量（DH〜3）双量子/单量子相关实验。这样就可以在有限的探针或样品受到射频（RF）辐射损害的风险下，探测核之间的空间邻近性，并且完全适用于在有利情况下提高灵敏度的快速重复率。多旋转数值模拟为实验演示提供了支持，这为表征旋转系统的几何形状提供了新的可能性。

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