论文标题
四面体分子中的平均侵略性核自旋旋转和NMR屏蔽张量
Parity-violating nuclear spin-rotation and NMR shielding tensors in tetrahedral molecules
论文作者
论文摘要
在涉及弱相互作用的自然过程中，应出现违反空间平价保护的行为。预计使用不同的光谱方法论可以观察到它的作用在分子中可观察到，但是由于这些效应的幅度很小，它们尚未测量。我们对在一组四面体手性分子中的四组分相对论核旋转核自旋旋转和NMR屏蔽量张量进行了理论分析。这项工作突出了配体在增强这些效果方面所起的至关重要的作用和手性中心的电子结构，从而朝着瞄准有希望的分子进行测量的靶向设计方面。
In natural processes involving weak interactions, a violation of spatial parity conservation should appear. Its effects are expected to be observable in molecules using different spectroscopic methodologies, but due to the tiny magnitude of these effects they have never been measured yet. We present a theoretical analysis of four-component relativistic nuclear-spin-dependent parity-violating nuclear spin-rotation and NMR shielding tensors in a set of tetrahedral chiral molecules. This work highlights the crucial role played by the ligands and the electronic structure of the chiral center in the enhancement of these effects, leading the way towards targeted design of promising molecules for measurements.
