Issue 18, 2018

Taming a monomeric [Cu(η6-C6H6)]+ complex with silylene


Previous theoretical and experimental endeavors suggested that [Cu(C6H6)]+ prefers the η12 mode over the η6 mode due to the augmented repulsion between the benzene ring and metal d-electrons. Nevertheless, the use of silylene as a neutral ligand has led to the isolation of the first monomeric copper cation, [{PhC(NtBu)2SiN(SiMe3)2}Cu(η6-C6H6)]+[SbF6] (3), where a copper atom is bound to the benzene ring in an unsupported η6 fashion. However, the use of IPr (1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) in place of silylene results in the formation of [IPr·Cu(η2-C6H6)]+[SbF6] (6), where the copper atom is bound to the benzene ring in the η2 mode. The discrepancy in hapticities is also reflected when hexamethylbenzene is employed as the arene ring. The silylene supported copper cation continues to bind in the η6 mode in 2 while the NHC copper cation displays an η3 bonding mode in 5. DFT calculations are carried out to understand how the use of silylene led to the η6 binding mode and why IPr afforded the η2 binding mode.

Graphical abstract: Taming a monomeric [Cu(η6-C6H6)]+ complex with silylene

Supplementary files

Article information

Article type
Edge Article
29 Jan 2018
12 Apr 2018
First published
13 Apr 2018
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY license

Chem. Sci., 2018,9, 4333-4337

Taming a monomeric [Cu(η6-C6H6)]+ complex with silylene

N. Parvin, S. Pal, J. Echeverría, S. Alvarez and S. Khan, Chem. Sci., 2018, 9, 4333 DOI: 10.1039/C8SC00459E

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