Winter, M.J. orcid.org/0009-0009-7038-1412 (2024) Chemdex: quantification and distributions of valence numbers, oxidation numbers, coordination numbers, electron numbers, and covalent bond classes for the elements. Dalton Transactions, 53 (2). pp. 493-511. ISSN 1477-9226
Abstract
The paper introduces Chemdex, a freely accessible web-based database of over 70 000 compounds characterised by crystallography from across the periodic table. Its software calculates for an atom of interest within each compound classifications including valence number, oxidation number, coordination number, electron number, several covalent bond classifications, and the attached atom set. Users may explore distributions of these classifications by percentages and heat map displays for individual elements or sets of elements, or in several cases for one classification plotted against a second. These properties often display clear periodicity. Based upon distributions across the periodic table of valence numbers, electron numbers, coordination numbers, and attached atom data suggestions are made regarding the placement of hydrogen in the periodic table, membership of group 3 in the periodic table, locations of the early actinoids in the periodic table, and assignments of certain elements as metalloids.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2023 The Authors. This is an Open Access article distributed under the terms of the Creative Commons Attribution Licence (https://creativecommons.org/licenses/by/3.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 18 Dec 2023 14:51 |
Last Modified: | 01 Nov 2024 15:34 |
Status: | Published |
Publisher: | Royal Society of Chemistry (RSC) |
Refereed: | Yes |
Identification Number: | 10.1039/d3dt03738j |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:206726 |