How reduced are nucleophilic gold complexes?

Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multico...

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Detalles Bibliográficos
Autores principales: Leach, Isaac F., Sorbelli, Diego, Belpassi, Leonardo, Belanzoni, Paola, Havenith, Remco W. A., Klein, Johannes E. M. N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9764324/
https://www.ncbi.nlm.nih.gov/pubmed/35877065
http://dx.doi.org/10.1039/d2dt01694j
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author Leach, Isaac F.
Sorbelli, Diego
Belpassi, Leonardo
Belanzoni, Paola
Havenith, Remco W. A.
Klein, Johannes E. M. N.
author_facet Leach, Isaac F.
Sorbelli, Diego
Belpassi, Leonardo
Belanzoni, Paola
Havenith, Remco W. A.
Klein, Johannes E. M. N.
author_sort Leach, Isaac F.
collection PubMed
description Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multiconfigurational (CASSCF) calculations corroborate the findings, highlighting the gap between the electonic structures and the oxidation state formalism.
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spelling pubmed-97643242023-01-04 How reduced are nucleophilic gold complexes? Leach, Isaac F. Sorbelli, Diego Belpassi, Leonardo Belanzoni, Paola Havenith, Remco W. A. Klein, Johannes E. M. N. Dalton Trans Chemistry Nucleophilic formal gold(-i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations. The results indicate gold(0) centres engaging in electron-sharing bonding with Al- and B- based ligands. Multiconfigurational (CASSCF) calculations corroborate the findings, highlighting the gap between the electonic structures and the oxidation state formalism. The Royal Society of Chemistry 2022-07-25 /pmc/articles/PMC9764324/ /pubmed/35877065 http://dx.doi.org/10.1039/d2dt01694j Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Leach, Isaac F.
Sorbelli, Diego
Belpassi, Leonardo
Belanzoni, Paola
Havenith, Remco W. A.
Klein, Johannes E. M. N.
How reduced are nucleophilic gold complexes?
title How reduced are nucleophilic gold complexes?
title_full How reduced are nucleophilic gold complexes?
title_fullStr How reduced are nucleophilic gold complexes?
title_full_unstemmed How reduced are nucleophilic gold complexes?
title_short How reduced are nucleophilic gold complexes?
title_sort how reduced are nucleophilic gold complexes?
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9764324/
https://www.ncbi.nlm.nih.gov/pubmed/35877065
http://dx.doi.org/10.1039/d2dt01694j
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