Ni(DQ)2: A Useful Gateway to Zero-Valent Nickel Complexes

We report the convenient synthesis of Ni(DQ)2 (DQ = duroquinone) from readily available Ni(II) and Ni(0) precursors, guided by DFT calculations. By virtue of its π-accepting homoleptic ligand environment, Ni(DQ)2 undergoes facile ligand exchange with phosphine, bis-nitrogen, and diene ligands and thus represents a convenient Ni(0) source in synthetic organometallic chemistry. As a precatalyst, Ni(DQ)2 is found be a competent air-stable precursor for emerging methodology where Ni(COD)(DQ) is ineffective (COD = 1,5-cyclooctadiene).

本研究报道了在密度泛函理论（Density Functional Theory, DFT）计算指导下，以易得的Ni(II)与Ni(0)前驱体为原料，便捷合成Ni(DQ)₂（DQ即杜醌，duroquinone）的方法。得益于其π接受型均配体配位环境，Ni(DQ)₂可与膦配体、双氮配体及二烯配体发生易进行的配体交换反应，因此可作为合成有机金属化学中便捷的Ni(0)源。作为预催化剂（precatalyst），Ni(DQ)₂被证实为一种有效的空气稳定前驱体，可应用于Ni(COD)(DQ)无法生效的新兴合成方法学中（其中COD为1,5-环辛二烯，1,5-cyclooctadiene）。