4.8 Article

The expansion of chemical space in 1826 and in the 1840s prompted the convergence to the periodic system

出版社

NATL ACAD SCIENCES
DOI: 10.1073/pnas.2119083119

关键词

chemistry; periodic system; periodic table; chemical space; computational history

资金

  1. German Academic Exchange Service: Forschungsstipendien-Promotionen in Deutschland 2017/2018 [Bewerbung 57299294]
  2. Fundacion para la Promocion de la Investigacion y la Tecnologia from Banco de la Republica (Colombia) [4.225]

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The periodic system was already encoded in the chemical space before its formulation, and the development of the periodic table was influenced by chemical events and the emphasis on organic chemicals. The atomic weights in the 19th century also played a role in the formation of the periodic table.
The periodic system, which intertwines order and similarity among chemical elements, arose fromknowledge about substances constituting the chemical space. Little is known, however, about how the expansion of the space contributed to the emergence of the system-formulated in the 1860s. Here, we show by analyzing the space between 1800 and 1869 that after an unstable period culminating around 1826, chemical space led the system to converge to a backbone structure clearly recognizable in the 1840s. Hence, the system was already encoded in the space for about two and half decades before its formulation. Chemical events in 1826 and in the 1840s were driven by the discovery of new forms of combination standing the test of time. Emphasis of the space upon organic chemicals after 1830 prompted the recognition of relationships among elements participating in the organic turn and obscured some of the relationships among transition metals. To account for the role of nineteenth century atomic weights upon the system, we introduced an algorithm to adjust the space according to different sets of weights, which allowed for estimating the resulting periodic systems of chemists using one or the other weights. By analyzing these systems, from Dalton up to Mendeleev, Gmelin's atomic weights of 1843 produce systems remarkably similar to that of 1869, a similarity that was reinforced by the atomic weights on the years to come. Although our approach is computational rather than historical, we hope it can complement other tools of the history of chemistry.

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