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首页> 外文期刊>The Journal of Chemical Physics >Hyperfine coupling and pseudorotational motion interaction in Na_3
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Hyperfine coupling and pseudorotational motion interaction in Na_3

机译:Na_3中的超精细耦合和拟旋转运动相互作用

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摘要

Hyperfine patterns calcualtions are carried out for the Na_3 cluster with a wiew towards understanding the microwave measurements which were performed for three rotational transitions belonging to the ground X electronic state. The calculations take simultaneously into account the pseudorotational motion, the spin-rotation coupling, and the magnetic electron spin-nuclear spin hyperfine coupling. Matching calculated and observed patterns suggests that the cluster is characterized by small pseudorotational tunneling and spin-rotation splittings, some amount of Fermi contact interaction at the two terminal nuclei, and significant dipolar spin-nuclear spin coupling for the central atom.
机译:对Na_3团簇进行超精细模式计算,这有助于理解微波测量,该测量是针对属于基X电子态的三个旋转跃迁执行的。这些计算同时考虑了假旋转运动,自旋-旋转耦合和磁电子自旋-核自旋超精细耦合。匹配的计算模式和观察到的模式表明,该团簇的特征是小假旋转隧穿和自旋旋转分裂,两个末端原子核上一定数量的费米接触相互作用以及中心原子的显着偶极自旋核自旋耦合。

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