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[CpArNi{Ga(nacnac)}]: An Open-Shell Nickel(I) Complex Supported by a Gallium(I) Carbenoid (CpAr = C5(C6H4‑4-Et)5, nacnac = HC[C(Me)N-(C6H3)‑2,6‑iPr2]2)

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acs.figshare.com2023-06-01 更新2025-01-21 收录
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https://acs.figshare.com/articles/dataset/_Cp_sup_Ar_sup_Ni_Ga_nacnac_An_Open_Shell_Nickel_I_Complex_Supported_by_a_Gallium_I_Carbenoid_Cp_sup_Ar_sup_C_sub_5_sub_C_sub_6_sub_H_sub_4_sub_4_Et_sub_5_sub_nacnac_HC_C_Me_N_C_sub_6_sub_H_sub_3_sub_2_6_i_i_i_Pr_sub_2_sub_sub_2_sub_/3085567/1
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The 17 valence electron (VE) open-shell nickel gallanediyl complex [CpArNi­{Ga­(nacnac)}] (3, Ar = C5(C6H4-4-Et)5, nacnac = HC­[C­(Me)­N­(C6H3-2,6-iPr2)]2), having an unsupported Ni–Ga bond, was synthesized from [CpArNi­(μ-Br)]2 (1) by reducing the adduct [CpArNi­(μ-Br)­{Ga­(nacnac)}] (2) or, alternatively, trapping the “CpArNiI” synthon with Ga­(nacnac); spectroscopic and DFT studies showed that the single unpaired electron in 3 resides mainly at the Ni center.

合成了一种含有17个价电子(VE)的开壳镍加兰尼化物复合物[CpArNi­{Ga­(nacnac)}](3,其中Ar = C5(C6H4-4-Et)5,nacnac = HC­[C­(Me)­N­(C6H3-2,6-iPr2)]2),该复合物中镍与镓之间的键未得到支撑。该化合物通过还原加合物[CpArNi­(μ-Br)]2(1)或通过捕获“CpArNiI”前体与Ga­(nacnac)反应而制备。光谱学和DFT研究表明,复合物3中的单个未成对电子主要位于镍中心。
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