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Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum-Copper and Gallium-Copper Bonds

Mears, KL; Stennett, CR; Taskinen, EK; Knapp, CE; Carmalt, CJ; Tuononen, HM; Power, PP; (2020) Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum-Copper and Gallium-Copper Bonds. Journal of the American Chemical Society , 142 (47) pp. 19874-19878. 10.1021/jacs.0c10099. Green open access

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Abstract

The reaction of the copper(I) β-diketiminate copper complex {(Cu(BDI^{Mes}))_{2}(μ-C_{6}H_{6})} (BDI^{Mes} = N,N'-bis(2,4,6-trimethylphenyl)pentane-2,4-diiminate) with the low-valent group 13 metal β-diketiminates M(BDI^{Dip}) (M = Al or Ga; BDI^{Dip} = N,N'-bis(2,6-diisopropylphenyl)pentane-2,4-diiminate) in toluene afforded the complexes {(BDI^{Mes})CuAl(BDI^{Dip})} and {(BDI^{Mes})CuGa(BDI^{Dip})}. These feature unsupported copper-aluminum or copper-gallium bonds with short metal-metal distances, Cu-Al = 2.3010(6) Å and Cu-Ga = 2.2916(5) Å. Density functional theory (DFT) calculations showed that approximately half of the calculated association enthalpies can be attributed to London dispersion forces.

Type: Article
Title: Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum-Copper and Gallium-Copper Bonds
Location: United States
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/jacs.0c10099
Publisher version: https://doi.org/10.1021/jacs.0c10099
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions.
Keywords: Copper, Metals, Ligands, Electron density, Enthalpy
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10116499
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