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arXiv 2602.08157quant-phphysics.chem-ph
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旋量双量子激发在近等价自旋1/2对溶液核磁共振中的应用

Spinor Double-Quantum Excitation in the Solution NMR of Near-Equivalent Spin-1/2 Pairs

School of Chemistry, University of Southampton（南安普顿大学化学学院）

Urvashi D. Heramun, Mohamed Sabba, Dolnapa Yamano, Christian Bengs, Bonifac Legrady, Giuseppe Pileio, Sam Thompson, Malcolm H. Levitt

备注：
accepted for publication in JCP
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AI总结：

本文提出利用旋量行为操控相位以生成双量子相干态，用于近等价自旋1/2对的溶液NMR研究。

摘要：

一种双量子激发方案家族被描述用于近等价自旋1/2对的溶液核磁共振（NMR）。这些新方法利用了二能级系统的旋量行为，其特征是量子态在2π旋转后符号改变。旋量行为被用来操控单量子相干的相位，以准备一个快速转换为双量子相干的双量子前驱态，通过简单的π/2旋转实现。一组基于旋量的方法利用对称性脉冲序列，另一组利用SLIC（自旋锁诱导交叉），其中在共振射频场下的营养频率被匹配到自旋-自旋耦合。介绍了一种SLIC的变种，其对射频场幅度偏差有良好的补偿作用。这些方法通过在含有对映异构19F核对的分子系统中进行双量子过滤19F NMR来演示。新方法与现有技术进行了比较。

英文摘要：

A family of double-quantum excitation schemes is described for the solution nuclear magnetic resonance (NMR) of near-equivalent spin-1/2 pairs. These new methods exploit the spinor behaviour of 2-level systems, whose signature is the change of sign of a quantum state upon a $2π$ rotation. The spinor behaviour is used to manipulate the phases of single-quantum coherences, in order to prepare a double-quantum precursor state which is rapidly converted into double-quantum coherence by a straightforward $π/2$ rotation. One set of spinor-based methods exploits symmetry-based pulse sequences, while the other set exploits SLIC (spin-lock-induced crossing), in which the nutation frequency under a resonant radiofrequency field is matched to the spin-spin coupling. A variant of SLIC is introduced which is well-compensated for deviations in the radiofrequency field amplitude. The methods are demonstrated by performing double-quantum-filtered $^{19}$F NMR on a molecular system containing a pair of diastereotopic $^{19}$F nuclei. The new methods are compared with existing techniques.

机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。

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