Periodicity of molecular clusters based on symmetry-adapted orbital model
Periodicity of molecular clusters based on symmetry-adapted orbital model
复制标题
DOI：
10.1038/s41467-019-11649-0
复制
发表时间：
2019-08
影响因子：
16.6
通讯作者：
T. Tsukamoto;Naoki Haruta;Tetsuya Kambe;A. Kuzume;Kimihisa Yamamoto
中科院分区：
文献类型：
--
作者：
T. Tsukamoto;Naoki Haruta;Tetsuya Kambe;A. Kuzume;Kimihisa Yamamoto
元素周期表一直对许多元素的发现作出贡献。对于比原子规模更大的物质来说，没有这样的原理吗？许多稳定的物质，如团簇，都是基于凝胶模型预测的，该模型通常假设它们的结构近似为球形。凝胶模型可以有效地解释亚球状星团，如二十面体星团。为了扩大该模型的适用范围，我们提出了对称性自适应轨道模型，该模型明确考虑了由于结构对称性较低而引起的电子轨道能级分裂。这一改进表明，有可能存在大量具有不同形状的稳定星团，这些星团遵循一定的周期。许多现有的物质也受同样的规则管辖。因此，所有具有相同对称性的物质都可以统一到一个周期框架中，类似于元素周期表，这将成为寻找丢失物质的有用指南针。
The periodic table has always contributed to the discovery of a number of elements. Is there no such principle for larger-scale substances than atoms? Many stable substances such as clusters have been predicted based on the jellium model, which usually assumes that their structures are approximately spherical. The jellium model is effective to explain subglobular clusters such as icosahedral clusters. To broaden the scope of this model, we propose the symmetry-adapted orbital model, which explicitly takes into account the level splittings of the electronic orbitals due to lower structural symmetries. This refinement indicates the possibility of an abundance of stable clusters with various shapes that obey a certain periodicity. Many existing substances are also governed by the same rule. Consequently, all substances with the same symmetry can be unified into a periodic framework in analogy to the periodic table of elements, which will act as a useful compass to find missing substances.