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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Observation of scalar nuclear spin-spin coupling in van der Waals complexes
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Observation of scalar nuclear spin-spin coupling in van der Waals complexes

机译:范德华配合物中标量核自旋-自旋偶合的观察

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摘要

Scalar couplings between covalently bound nuclear spins are a ubiquitous feature in nuclear magnetic resonance (NMR) experiments, imparting valuable information to NMR spectra regarding molecular structure and conformation. Such couplings arise due to a second-order hyperfine interaction, and, in principle, the same mechanism should lead to scalar couplings between nuclear spins in unbound van der Waals complexes. Here, we report the first observation of scalar couplings between nuclei in van der Waals complexes. Our measurements are performed in a solution of hy-perpolarized ~(129)Xe and pentane, using superconducting quantum interference devices to detect NMR in 10 mG fields, and are in good agreement with calculations based on density functional theory, van der Waals forces play an important role in many physical phenomena. The techniques presented here may provide a new method for probing such interactions.
机译:共价结合的核自旋之间的标量偶合是核磁共振(NMR)实验中普遍存在的特征,为NMR光谱提供了有关分子结构和构象的有价值的信息。这种耦合是由于二次超精细相互作用而产生的,并且原则上,相同的机制应导致未结合的范德华复合物中核自旋之间的标量耦合。在这里,我们报告范德华复合物中的核之间的标量耦合的第一次观察。我们的测量是在超极化〜(129)Xe和戊烷的溶液中进行的,使用超导量子干涉装置检测10 mG磁场中的NMR,并且与基于密度泛函理论的计算非常吻合,范德华力在许多物理现象中起着重要作用。这里介绍的技术可以提供一种探测这种相互作用的新方法。

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