Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum–Copper and Gallium–Copper Bonds,Journal of the American Chemical Society

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Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum–Copper and Gallium–Copper Bonds
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-11-10 , DOI: 10.1021/jacs.0c10099
Kristian L. Mears ₁ , Cary R. Stennett ₂ , Elina K. Taskinen ₃ , Caroline E. Knapp ₁ , Claire J. Carmalt ₁ , Heikki M. Tuononen ₃ , Philip P. Power ₂

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The reaction of the copper(I) β-diketiminate copper complex {(Cu(BDIMes))2(μ-C6H6)} (BDIMes = N,N'-bis(2,4,6-trimethylphenyl)pentane-2,4-diiminate) with the low-valent group 13 metal β-diketiminates M(BDIDip) (M = Al or Ga; BDIDip = N,N'-bis(2,6-diisopropylphenyl)pentane-2,4-diiminate) in toluene afforded the complexes {(BDIMes)CuAl(BDIDip)} and {(BDIMes)CuGa(BDIDip)}. 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.

中文翻译：

具有无支撑分散增强铝-铜和镓-铜键的分子复合物

铜(I) β-二酮亚胺铜络合物{(Cu(BDIMes))2(μ-C6H6)}的反应(BDIMes = N,N'-bis(2,4,6-trimethylphenyl)pentane-2,4 -二亚胺）与低价第 13 族金属 β-二亚胺 M(BDIDip)（M = Al 或 Ga；BDIDip = N,N'-双（2,6-二异丙基苯基）戊烷-2,4-二亚胺）在甲苯中得到配合物{(BDIMes)CuAl(BDIDip)}和{(BDIMes)CuGa(BDIDip)}。这些具有无支撑的铜-铝或铜-镓键，具有较短的金属-金属距离，Cu-Al = 2.3010(6) Å 和 Cu-Ga = 2.2916(5) Å。密度泛函理论 (DFT) 计算表明，大约一半的计算关联焓可归因于伦敦色散力。

更新日期：2020-11-10

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