Schwerdtfeger Peter, Smits Odile R, Pyykkö Pekka
Centre for Theoretical Chemistry and Physics, New Zealand Institute for Advanced Study and the Institute of Natural and Mathematical Sciences, Massey University Auckland, Auckland, New Zealand.
Centre for Advanced Study (CAS) at the Norwegian Academy of Science and Letters, Oslo, Norway.
Nat Rev Chem. 2020 Jul;4(7):359-380. doi: 10.1038/s41570-020-0195-y. Epub 2020 Jun 29.
Mendeleev's introduction of the periodic table of elements is one of the most important milestones in the history of chemistry, as it brought order into the known chemical and physical behaviour of the elements. The periodic table can be seen as parallel to the Standard Model in particle physics, in which the elementary particles known today can be ordered according to their intrinsic properties. The underlying fundamental theory to describe the interactions between particles comes from quantum theory or, more specifically, from quantum field theory and its inherent symmetries. In the periodic table, the elements are placed into a certain period and group based on electronic configurations that originate from the Pauli and Aufbau principles for the electrons surrounding a positively charged nucleus. This order enables us to approximately predict the chemical and physical properties of elements. Apparent anomalies can arise from relativistic effects, partial-screening phenomena (of type lanthanide contraction) and the compact size of the first shell of every l-value. Further, ambiguities in electron configurations and the breakdown of assigning a dominant configuration, owing to configuration mixing and dense spectra for the heaviest elements in the periodic table. For the short-lived transactinides, the nuclear stability becomes an important factor in chemical studies. Nuclear stability, decay rates, spectra and reaction cross sections are also important for predicting the astrophysical origin of the elements, including the production of the heavy elements beyond iron in supernova explosions or neutron-star mergers. In this Perspective, we critically analyse the periodic table of elements and the current status of theoretical predictions and origins for the heaviest elements, which combine both quantum chemistry and physics.
门捷列夫元素周期表的引入是化学史上最重要的里程碑之一，因为它为已知元素的化学和物理行为带来了秩序。元素周期表可以被视为与粒子物理学中的标准模型类似，在标准模型中，如今已知的基本粒子可以根据其固有属性进行排序。描述粒子间相互作用的基础基本理论来自量子理论，或者更具体地说，来自量子场论及其内在对称性。在元素周期表中，元素基于电子构型被置于特定的周期和族中，这些电子构型源自围绕带正电原子核的电子的泡利原理和构造原理。这种排序使我们能够大致预测元素的化学和物理性质。明显的异常可能源于相对论效应、部分屏蔽现象（如镧系收缩类型）以及每个 l 值的第一壳层的紧凑尺寸。此外，由于构型混合和周期表中最重元素的密集光谱，电子构型存在模糊性且难以确定主导构型。对于短寿命的超锕系元素，核稳定性在化学研究中成为一个重要因素。核稳定性、衰变率、光谱和反应截面对于预测元素的天体物理起源也很重要，包括超新星爆发或中子星合并中产生的铁以上的重元素。在这篇综述中，我们批判性地分析了元素周期表以及最重元素的理论预测现状和起源，这结合了量子化学和物理学。
