How reduced are nucleophilic gold complexes?

Isaac F. Leach; Diego Sorbelli; Leonardo Belpassi; Paola Belanzoni; Remco W. A. Havenith; Johannes E. M. N. Klein

doi:10.1039/D2DT01694J

How reduced are nucleophilic gold complexes?†

Isaac F. Leach,

^ab Diego Sorbelli,

^cd Leonardo Belpassi,

^d Paola Belanzoni,

^cd Remco W. A. Havenith

^abe and Johannes E. M. N. Klein

*^a

Author affiliations

* Corresponding authors

^a Molecular Inorganic Chemistry, Stratingh Institute for Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands
E-mail: j.e.m.n.klein@rug.nl

^b Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands

^c Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto, 8, 06123 Perugia, Italy

^d CNR Institute of Chemical Science and Technologies “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto, 8, 06123 Perugia, Italy

^e Ghent Quantum Chemistry Group, Department of Chemistry, Ghent University, 9000 Gent, Belgium

Abstract

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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DOI: https://doi.org/10.1039/D2DT01694J
Article type: Communication
Submitted: 31 May 2022
Accepted: 08 Jul 2022
First published: 25 Jul 2022
This article is Open Access

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Dalton Trans., 2023,52, 11-15

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How reduced are nucleophilic gold complexes?

I. F. Leach, D. Sorbelli, L. Belpassi, P. Belanzoni, R. W. A. Havenith and J. E. M. N. Klein, Dalton Trans., 2023, 52, 11 DOI: 10.1039/D2DT01694J

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Dalton Transactions

How reduced are nucleophilic gold complexes?†

Abstract

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Article information

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How reduced are nucleophilic gold complexes?

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