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

Author:

Leal Wilmer12ORCID,Llanos Eugenio J.123ORCID,Bernal Andrés24ORCID,Stadler Peter F.12567,Jost Jürgen28,Restrepo Guillermo25ORCID

Affiliation:

1. Bioinformatics Group, Department of Computer Science, Universität Leipzig, 04107 Leipzig, Germany

2. Max Planck Institute for Mathematics in the Sciences, 04103 Leipzig, Germany

3. Corporación SCIO, 111321 Bogotá, Colombia

4. Departamento de Ciencias Básicas, Universidad Jorge Tadeo Lozano, 110311 Bogotá, Colombia

5. Interdisciplinary Center for Bioinformatics, Universität Leipzig, 04107 Leipzig, Germany

6. Institute for Theoretical Chemistry, University of Vienna, 1090 Vienna, Austria

7. Facultad de Ciencias, Universidad Nacional de Colombia, Sede Bogotá, Colombia

8. The Santa Fe Institute, Santa Fe, NM 87501

Abstract

The periodic system, which intertwines order and similarity among chemical elements, arose from knowledge 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.

Funder

Deutscher Akademischer Austauschdienst

Fundacion para la promocion de la investigacion y la tecnologia del Banco de la Republica

Publisher

Proceedings of the National Academy of Sciences

Subject

Multidisciplinary

Reference49 articles.

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