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Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas

Oganesson (Og) is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases. Only five atoms of Og have been successfully produced in nuclear collision experiments, with an estimate half‐life for [Formula: see text] Og of 0. [Formula: see text]...

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Autores principales: Smits, Odile R., Mewes, Jan‐Michael, Jerabek, Paul, Schwerdtfeger, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7814676/
https://www.ncbi.nlm.nih.gov/pubmed/32959952
http://dx.doi.org/10.1002/anie.202011976
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author Smits, Odile R.
Mewes, Jan‐Michael
Jerabek, Paul
Schwerdtfeger, Peter
author_facet Smits, Odile R.
Mewes, Jan‐Michael
Jerabek, Paul
Schwerdtfeger, Peter
author_sort Smits, Odile R.
collection PubMed
description Oganesson (Og) is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases. Only five atoms of Og have been successfully produced in nuclear collision experiments, with an estimate half‐life for [Formula: see text] Og of 0. [Formula: see text]  ms.([1]) With such a short lifetime, chemical and physical properties inevitably have to come from accurate relativistic quantum theory. Here, we employ two complementary computational approaches, namely parallel tempering Monte‐Carlo (PTMC) simulations and first‐principles thermodynamic integration (TI), both calibrated against a highly accurate coupled‐cluster reference to pin‐down the melting and boiling points of this super‐heavy element. In excellent agreement, these approaches show Og to be a solid at ambient conditions with a melting point of ≈325 K. In contrast, calculations in the nonrelativistic limit reveal a melting point for Og of 220 K, suggesting a gaseous state as expected for a typical noble gas element. Accordingly, relativistic effects shift the solid‐to‐liquid phase transition by about 100 K.
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spelling pubmed-78146762021-01-27 Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas Smits, Odile R. Mewes, Jan‐Michael Jerabek, Paul Schwerdtfeger, Peter Angew Chem Int Ed Engl Communications Oganesson (Og) is the last entry into the Periodic Table completing the seventh period of elements and group 18 of the noble gases. Only five atoms of Og have been successfully produced in nuclear collision experiments, with an estimate half‐life for [Formula: see text] Og of 0. [Formula: see text]  ms.([1]) With such a short lifetime, chemical and physical properties inevitably have to come from accurate relativistic quantum theory. Here, we employ two complementary computational approaches, namely parallel tempering Monte‐Carlo (PTMC) simulations and first‐principles thermodynamic integration (TI), both calibrated against a highly accurate coupled‐cluster reference to pin‐down the melting and boiling points of this super‐heavy element. In excellent agreement, these approaches show Og to be a solid at ambient conditions with a melting point of ≈325 K. In contrast, calculations in the nonrelativistic limit reveal a melting point for Og of 220 K, suggesting a gaseous state as expected for a typical noble gas element. Accordingly, relativistic effects shift the solid‐to‐liquid phase transition by about 100 K. John Wiley and Sons Inc. 2020-10-22 2020-12-21 /pmc/articles/PMC7814676/ /pubmed/32959952 http://dx.doi.org/10.1002/anie.202011976 Text en © 2020 The Authors. Published by Wiley-VCH GmbH 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 Communications
Smits, Odile R.
Mewes, Jan‐Michael
Jerabek, Paul
Schwerdtfeger, Peter
Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
title Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
title_full Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
title_fullStr Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
title_full_unstemmed Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
title_short Oganesson: A Noble Gas Element That Is Neither Noble Nor a Gas
title_sort oganesson: a noble gas element that is neither noble nor a gas
topic Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7814676/
https://www.ncbi.nlm.nih.gov/pubmed/32959952
http://dx.doi.org/10.1002/anie.202011976
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