Issue 8, 2023

A “gold standard” computational proof for the existence of gold(iii) aurophilicity

Abstract

The existence of aurophilic gold(III)⋯gold(III) interactions has for a long time been neglected due to structural arguments and comparison with the aurophilicity of gold(I) compounds. We show with calculations at the CCSD(T) level of theory that the [AuIII(CH3)3(NH3)]2 dimer has a metallophilic dispersion interaction between the gold(III) atoms of 10.5 kJ mol−1. The aurophilic interaction is illustrated by topological QTAIM calculations and IRI analysis.

Graphical abstract: A “gold standard” computational proof for the existence of gold(iii) aurophilicity

Supplementary files

Article information

Article type
Communication
Submitted
19 Nov 2022
Accepted
08 Feb 2023
First published
08 Feb 2023
This article is Open Access
Creative Commons BY-NC license

Dalton Trans., 2023,52, 2219-2222

A “gold standard” computational proof for the existence of gold(III) aurophilicity

D. Blasco, F. Reboiro, D. Sundholm, M. E. Olmos, M. Monge and J. M. López-de-Luzuriaga, Dalton Trans., 2023, 52, 2219 DOI: 10.1039/D2DT03731A

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