Singlet spin order in spin pairs coupled via non-bonded interactions.

IF 4.2 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Frontiers in Chemistry Pub Date : 2025-01-30 eCollection Date: 2024-01-01 DOI:10.3389/fchem.2024.1511720

Giuseppe Pileio, Dolnapa Yamano, Craig D Eccles, Graham J Tizzard, Sam Thompson

引用次数: 0

Abstract

Fluorine spin pairs that are constrained in spatial proximity show large scalar spin-spin couplings, despite the atoms being separated by several bonds. This is due to a non-bonded atomic interaction related to partial overlapping of fluorine p-orbitals. In this paper we exploit this phenomenon to create long-lived singlet spin order on the fluorine spin pair. This form of order, which, in this example molecule, is more than an order of magnitude longer than longitudinal order, has the potential to be useful in magnetic resonance imaging and molecular tracing experiments, because of the lack of endogenous fluorine in the human body and the high sensitivity achievable in ¹⁹F NMR.

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通过非键相互作用耦合的自旋对中的单线态自旋顺序。

受空间接近限制的氟自旋对显示出较大的标量自旋-自旋耦合，尽管原子被几个键分开。这是由于与氟p轨道部分重叠有关的非键原子相互作用。本文利用这一现象在氟自旋对上建立了长寿命的单重态自旋序。这种形式的顺序，在这个例子中，比纵向顺序长一个数量级以上，有可能在磁共振成像和分子示踪实验中有用，因为人体内缺乏内源性氟，并且19F核磁共振可以实现高灵敏度。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Frontiers in Chemistry Chemistry-General Chemistry

CiteScore

8.50

自引率

3.60%

发文量

1540

审稿时长

12 weeks

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