A focus on penetration index – a new descriptor of chemical bonding

Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría (S. Alvarez, J. Echeverría, Chem. Sci., 2023, https://doi.org/10.1039/D3SC02238B) suggest a simple descriptor of how deep this i...

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Detalles Bibliográficos
Autor principal: Grochala, Wojciech
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619538/
https://www.ncbi.nlm.nih.gov/pubmed/37920354
http://dx.doi.org/10.1039/d3sc90191b
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author Grochala, Wojciech
author_facet Grochala, Wojciech
author_sort Grochala, Wojciech
collection PubMed
description Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría (S. Alvarez, J. Echeverría, Chem. Sci., 2023, https://doi.org/10.1039/D3SC02238B) suggest a simple descriptor of how deep this interpenetration is, calling it a penetration index, i [Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a dimensionless penetration index, p(AB) [%]. How far this new index may take us will be discussed in this article.
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spelling pubmed-106195382023-11-02 A focus on penetration index – a new descriptor of chemical bonding Grochala, Wojciech Chem Sci Chemistry Electron clouds surrounding atoms interpenetrate in a molecule, due to weak van der Waals interactions or formation of a genuine chemical bond. Now, Alvarez and Echeverría (S. Alvarez, J. Echeverría, Chem. Sci., 2023, https://doi.org/10.1039/D3SC02238B) suggest a simple descriptor of how deep this interpenetration is, calling it a penetration index, i [Å]. This property may easily be related to a combined thickness of the van der Waals regions of two bond-forming atoms, thus giving rise to a dimensionless penetration index, p(AB) [%]. How far this new index may take us will be discussed in this article. The Royal Society of Chemistry 2023-10-13 /pmc/articles/PMC10619538/ /pubmed/37920354 http://dx.doi.org/10.1039/d3sc90191b Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Grochala, Wojciech
A focus on penetration index – a new descriptor of chemical bonding
title A focus on penetration index – a new descriptor of chemical bonding
title_full A focus on penetration index – a new descriptor of chemical bonding
title_fullStr A focus on penetration index – a new descriptor of chemical bonding
title_full_unstemmed A focus on penetration index – a new descriptor of chemical bonding
title_short A focus on penetration index – a new descriptor of chemical bonding
title_sort focus on penetration index – a new descriptor of chemical bonding
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619538/
https://www.ncbi.nlm.nih.gov/pubmed/37920354
http://dx.doi.org/10.1039/d3sc90191b
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