Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?

[Image: see text] A gold-aluminyl complex has been recently reported to feature an unconventional gold nucleophilic center, which was revealed through reactivity with carbon dioxide leading to the Au-CO(2) coordination mode. In this work, we computationally investigate the reaction mechanism, which...

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Autores principales: Sorbelli, Diego, Belpassi, Leonardo, Belanzoni, Paola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8447181/
https://www.ncbi.nlm.nih.gov/pubmed/34472349
http://dx.doi.org/10.1021/jacs.1c06728
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author Sorbelli, Diego
Belpassi, Leonardo
Belanzoni, Paola
author_facet Sorbelli, Diego
Belpassi, Leonardo
Belanzoni, Paola
author_sort Sorbelli, Diego
collection PubMed
description [Image: see text] A gold-aluminyl complex has been recently reported to feature an unconventional gold nucleophilic center, which was revealed through reactivity with carbon dioxide leading to the Au-CO(2) coordination mode. In this work, we computationally investigate the reaction mechanism, which is found to be cooperative, with the gold–aluminum bond being the actual nucleophile and Al also behaving as electrophile. The Au–Al bond is shown to be mainly of an electron-sharing nature, with the two metal fragments displaying a diradical-like reactivity with CO(2).
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spelling pubmed-84471812021-09-20 Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold? Sorbelli, Diego Belpassi, Leonardo Belanzoni, Paola J Am Chem Soc [Image: see text] A gold-aluminyl complex has been recently reported to feature an unconventional gold nucleophilic center, which was revealed through reactivity with carbon dioxide leading to the Au-CO(2) coordination mode. In this work, we computationally investigate the reaction mechanism, which is found to be cooperative, with the gold–aluminum bond being the actual nucleophile and Al also behaving as electrophile. The Au–Al bond is shown to be mainly of an electron-sharing nature, with the two metal fragments displaying a diradical-like reactivity with CO(2). American Chemical Society 2021-09-02 2021-09-15 /pmc/articles/PMC8447181/ /pubmed/34472349 http://dx.doi.org/10.1021/jacs.1c06728 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Sorbelli, Diego
Belpassi, Leonardo
Belanzoni, Paola
Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
title Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
title_full Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
title_fullStr Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
title_full_unstemmed Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
title_short Reactivity of a Gold-Aluminyl Complex with Carbon Dioxide: A Nucleophilic Gold?
title_sort reactivity of a gold-aluminyl complex with carbon dioxide: a nucleophilic gold?
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8447181/
https://www.ncbi.nlm.nih.gov/pubmed/34472349
http://dx.doi.org/10.1021/jacs.1c06728
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AT belpassileonardo reactivityofagoldaluminylcomplexwithcarbondioxideanucleophilicgold
AT belanzonipaola reactivityofagoldaluminylcomplexwithcarbondioxideanucleophilicgold

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