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Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry
Nature Reviews Chemistry ( IF 38.1 ) Pub Date : 2024-08-22 , DOI: 10.1038/s41570-024-00641-y
Nikolas Kaltsoyannis 1 , Andrew Kerridge 2
Affiliation  

One of the most intensely studied areas of f-block chemistry is the nature of the bonds between the f-element and another species, and in particular the role played by covalency. Computational quantum chemical methods have been at the forefront of this research for decades and have a particularly valuable role, given the radioactivity of the actinide series. The very strong agreement that has recently emerged between theory and the results of a range of spectroscopic techniques not only facilitates deeper insight into the experimental data, but it also provides confidence in the conclusions from the computational studies. These synergies are shining new light on the nature of the f element–other element bond.



中文翻译:


从光谱学和量子化学的协同作用理解分子 f 嵌段化合物的共价性



f嵌段化学研究最深入的领域之一是f元素与另一种物质之间的键的性质,特别是共价键所起的作用。几十年来,计算量子化学方法一直处于这项研究的前沿,并且鉴于锕系元素的放射性,具有特别有价值的作用。最近,理论与一系列光谱技术的结果之间出现了非常强烈的一致性,这不仅有助于更深入地了解实验数据,而且还为计算研究的结论提供了信心。这些协同作用为f元素-其他元素键的性质提供了新的线索。

更新日期:2024-08-22
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