Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum-Copper and Gallium-Copper Bonds.
Molecular Complexes Featuring Unsupported Dispersion-Enhanced Aluminum-Copper and Gallium-Copper Bonds.
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DOI：
10.1021/jacs.0c10099
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发表时间：
2020-11
影响因子：
15
通讯作者：
Kristian L Mears;Cary R. Stennett;Elina K Taskinen;C. Knapp;C. Carmalt;H. Tuononen;P. Power
中科院分区：
文献类型：
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作者：
Kristian L Mears;Cary R. Stennett;Elina K Taskinen;C. Knapp;C. Carmalt;H. Tuononen;P. Power
铜(I) β-二酮亚胺铜络合物{(Cu(BDIMes))2(μ-C6H6)} (BDIMes = N,N'-双(2,4,6-三甲基苯基)戊烷-2,4-二亚胺)与低价第13族金属β-二酮亚胺酯M(BDIDip) (M = Al或Ga; BDIDip = N,N'-双(2,6-二异丙基苯基)戊烷-2,4-二亚胺酯)在甲苯中得到络合物{(BDIMes)CuAl(BDIDip)}和{(BDIMes)CuGa(BDIDip)}。它们具有无支撑的铜-铝或铜-镓键，金属间距离短，Cu-Al = 2.3010(6) Å 和 Cu-Ga = 2.2916(5) Å。密度泛函理论 (DFT) 计算表明，计算出的缔合焓中大约一半可归因于伦敦色散力。
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.