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Copernicium: A Relativistic Noble Liquid
The chemical nature and aggregate state of superheavy copernicium (Cn) have been subject of speculation for many years. While strong relativistic effects render Cn chemically inert, which led Pitzer to suggest a noble‐gas‐like behavior in 1975, Eichler and co‐workers in 2008 reported substantial int...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6916354/ https://www.ncbi.nlm.nih.gov/pubmed/31596013 http://dx.doi.org/10.1002/anie.201906966 |
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author | Mewes, Jan‐Michael Smits, Odile R. Kresse, Georg Schwerdtfeger, Peter |
author_facet | Mewes, Jan‐Michael Smits, Odile R. Kresse, Georg Schwerdtfeger, Peter |
author_sort | Mewes, Jan‐Michael |
collection | PubMed |
description | The chemical nature and aggregate state of superheavy copernicium (Cn) have been subject of speculation for many years. While strong relativistic effects render Cn chemically inert, which led Pitzer to suggest a noble‐gas‐like behavior in 1975, Eichler and co‐workers in 2008 reported substantial interactions with a gold surface in atom‐at‐a‐time experiments, suggesting a metallic character and a solid aggregate state. Herein, we explore the physicochemical properties of Cn by means of first‐principles free‐energy calculations, which confirm Pitzer's original hypothesis: With predicted melting and boiling points of 283±11 K and 340±10 K, Cn is indeed a volatile liquid and exhibits a density very similar to that of mercury. However, in stark contrast to mercury and the lighter Group 12 metals, we find bulk Cn to be bound by dispersion and to exhibit a large band gap of 6.4 eV, which is consistent with a noble‐gas‐like character. This non‐group‐conforming behavior is eventually traced back to strong scalar‐relativistic effects, and in the non‐relativistic limit, Cn appears as a common Group 12 metal. |
format | Online Article Text |
id | pubmed-6916354 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-69163542019-12-17 Copernicium: A Relativistic Noble Liquid Mewes, Jan‐Michael Smits, Odile R. Kresse, Georg Schwerdtfeger, Peter Angew Chem Int Ed Engl Research Articles The chemical nature and aggregate state of superheavy copernicium (Cn) have been subject of speculation for many years. While strong relativistic effects render Cn chemically inert, which led Pitzer to suggest a noble‐gas‐like behavior in 1975, Eichler and co‐workers in 2008 reported substantial interactions with a gold surface in atom‐at‐a‐time experiments, suggesting a metallic character and a solid aggregate state. Herein, we explore the physicochemical properties of Cn by means of first‐principles free‐energy calculations, which confirm Pitzer's original hypothesis: With predicted melting and boiling points of 283±11 K and 340±10 K, Cn is indeed a volatile liquid and exhibits a density very similar to that of mercury. However, in stark contrast to mercury and the lighter Group 12 metals, we find bulk Cn to be bound by dispersion and to exhibit a large band gap of 6.4 eV, which is consistent with a noble‐gas‐like character. This non‐group‐conforming behavior is eventually traced back to strong scalar‐relativistic effects, and in the non‐relativistic limit, Cn appears as a common Group 12 metal. John Wiley and Sons Inc. 2019-10-25 2019-12-09 /pmc/articles/PMC6916354/ /pubmed/31596013 http://dx.doi.org/10.1002/anie.201906966 Text en © 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Articles Mewes, Jan‐Michael Smits, Odile R. Kresse, Georg Schwerdtfeger, Peter Copernicium: A Relativistic Noble Liquid |
title | Copernicium: A Relativistic Noble Liquid |
title_full | Copernicium: A Relativistic Noble Liquid |
title_fullStr | Copernicium: A Relativistic Noble Liquid |
title_full_unstemmed | Copernicium: A Relativistic Noble Liquid |
title_short | Copernicium: A Relativistic Noble Liquid |
title_sort | copernicium: a relativistic noble liquid |
topic | Research Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6916354/ https://www.ncbi.nlm.nih.gov/pubmed/31596013 http://dx.doi.org/10.1002/anie.201906966 |
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