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元素周期系的挑战:化学、历史和数学的视角。

Challenges for the Periodic Systems of Elements: Chemical, Historical and Mathematical Perspectives.

机构信息

Max Planck Institute for Mathematics in the Sciences, Interdisciplinary Center for Bioinformatics, Leipzig University, Leipzig, Germany.

出版信息

Chemistry. 2019 Dec 5;25(68):15430-15440. doi: 10.1002/chem.201902802. Epub 2019 Oct 30.

Abstract

We celebrate 150 years of periodic systems that reached their maturity in the 1860s. They began as pedagogical efforts to project corpuses of substances on the similarity and order relationships of the chemical elements. However, these elements are not the canned substances wrongly displayed in many periodic tables, but rather the abstract preserved entities in compound transformations. We celebrate the systems, rather than their tables or ultimate table. The periodic law, we argue, is not an all-encompassing achievement, as it does not apply to every property of all elements and compounds. Periodic systems have been generalised as ordered hypergraphs, which solves the long-lasting question on the mathematical structure of the systems. In this essay, it is shown that these hypergraphs may solve current issues such as order reversals in super-heavy elements and lack of system predictive power. We discuss research in extending the limits of the systems in the super-heavy-atom region and draw attention to other limits: the antimatter region and the limit arising from compounds under extreme conditions. As systems depend on the known chemical substances (chemical space) and such a space grows exponentially, we wonder whether systems still aim at projecting knowledge of compounds on the relationships among the elements. We claim that systems are not based on compounds anymore, rather on 20th century projections of the 1860s systems of elements on systems of atoms. These projections bring about oversimplifications based on entities far from being related to compounds. A linked oversimplification is the myth of vertical group similarity, which raises questions on the approaches to locate new elements in the system. Finally, we propose bringing back chemistry to the systems by exploring similarity and order relationships of elements using the current information of the chemical space. We ponder whether 19th century periodic systems are still there or whether they have faded away, leaving us with an empty 150 celebration.

摘要

我们庆祝周期性系统诞生 150 周年,这些系统在 19 世纪 60 年代达到成熟。它们最初是作为教学工具,将物质的语料库投射到化学元素的相似性和顺序关系上。然而,这些元素不是许多元素周期表中错误展示的罐装物质,而是化合物转化中抽象的保存实体。我们庆祝的是这些系统,而不是它们的表格或最终的表格。我们认为,元素周期律并不是一个包罗万象的成就,因为它不适用于所有元素和化合物的所有性质。周期性系统已经被概括为有序超图,这解决了长期以来关于系统数学结构的问题。在本文中,我们证明了这些超图可以解决当前的一些问题,例如超重元素中的顺序反转和缺乏系统预测能力。我们讨论了在超重原子区域扩展系统极限的研究,并提请注意其他极限:反物质区域和在极端条件下化合物的极限。由于系统依赖于已知的化学物质(化学空间),并且这种空间呈指数增长,我们想知道系统是否仍然旨在将化合物的知识投射到元素之间的关系上。我们断言,系统不再基于化合物,而是基于 20 世纪对 19 世纪元素系统的原子系统的投影。这些投影带来了基于与化合物远不相关的实体的过度简化。一个关联的过度简化是垂直族相似性的神话,这引发了关于在系统中定位新元素的方法的问题。最后,我们建议通过使用当前化学空间的信息探索元素的相似性和顺序关系,将化学带回系统中。我们思考 19 世纪的周期性系统是否还存在,或者它们是否已经消失,让我们在 150 周年庆典上感到空虚。

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