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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...

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Autores principales: Mewes, Jan‐Michael, Smits, Odile R., Kresse, Georg, Schwerdtfeger, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
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.
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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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