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气态氮和氧修饰的氦 - 3 原子中的核磁共振屏蔽

NMR shielding in helium-3 atoms modified by gaseous nitrogen and oxygen.

作者信息

Garbacz Piotr, Misiak Maria, Jackowski Karol

机构信息

Laboratory of NMR Spectroscopy, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.

出版信息

Magn Reson Chem. 2020 Aug;58(8):745-749. doi: 10.1002/mrc.5030. Epub 2020 May 20.

Abstract

Helium-3 nuclear magnetic resonance ( He NMR) measurements were carried out for the gaseous mixtures of helium-3 with pure nitrogen and synthetic air as the solvents. It was found that He shielding is linearly dependent on solvent density up to approx. 6 mol/L. At higher density of the gaseous solvent, the change of He shielding is nonlinear and especially distinct when helium-3 atoms can interact with two O molecules. The interaction with paramagnetic oxygen molecules can induce two kinds of He shielding changes: (1) due to the isotropic Fermi contact interaction and (2) from the dipolar magnetic interaction between unpaired O electrons and He nuclear magnetic dipole moment. The two paramagnetic effects in helium-3 shielding cannot be experimentally separated, although for such small molecular objects, they could be presumably modeled by advanced theoretical calculations.

摘要

对以纯氮和合成空气为溶剂的氦 - 3气体混合物进行了氦 - 3核磁共振(He NMR)测量。结果发现,在高达约6 mol/L的范围内,氦的屏蔽作用与溶剂密度呈线性相关。在气态溶剂密度较高时,氦屏蔽的变化是非线性的,当氦 - 3原子能够与两个O分子相互作用时,这种变化尤为明显。与顺磁性氧分子的相互作用可引起两种氦屏蔽变化:(1)由于各向同性费米接触相互作用,以及(2)未成对的O电子与氦核磁偶极矩之间的偶极磁相互作用。尽管对于如此小的分子对象,这两种顺磁效应在实验上无法分离,但大概可以通过先进的理论计算对其进行建模。

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