Rubidium and caesium aluminyls: synthesis, structures and reactivity in C–H bond activation of benzene

Thomas Gentner, Matt Evans, Alan Kennedy, Sam Neale, Claire McMullin, Martyn Coles, Robert Mulvey

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Abstract

Expanding knowledge of low valent aluminium chemistry, rubidium and caesium aluminyls are reported to complete the group 1 (Li–Cs) set of metal aluminyls. Both compounds crystallize as a contacted dimeric pair supported by M⋯π(arene) interactions with a pronounced twist between aluminyl units. Density functional theory calculations show symmetrical bonding between the M and Al atoms, with an Al centred lone-pair donating into vacant Rb and Cs orbitals. Interestingly, despite their structural similarity the Cs aluminyl enables C–H bond activation of benzene, but not the Rb aluminyl reflecting the importance of the alkali metal in these heterobimetallic systems.
Original languageEnglish
Pages (from-to)1390-1393
Number of pages4
JournalChemical communications (Cambridge, England)
Volume58
Issue number9
Early online date7 Jan 2022
DOIs
Publication statusPublished - 28 Jan 2022

Funding

TXG and REM thank the EPSRC for financial support (EP/S029788/1) and Craig Irving for his wise advice regarding the NMR investigations. MPC and MJE acknowledge Government funding from the Marsden Fund Council, managed by Royal Society Te Ap¯arangi (Grant Number: MFP-VUW2020). SEN and CLM acknowledge funding from the EPSRC (EP/R020752). MJE acknowledges a Victoria University of Wellington Doctoral Scholarship. This research used the Balena (Bath) and R¯apoi (VUW) High Performance Computing (HPC) Services. Data used within this publication can be accessed at https://doi.org/10.15129/ e59234ad-9d5b-4fcd-8254-434f0870db11.

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