A dinuclear iridium(II) complex with 1,3-butadiene-1,4-diyl backbone and iridium–iridium bonding interaction has been found from the complexation of an iridium(I) precursor and an alkyne-containing bisphosphine ligand. This complex shows binding ability toward a variety of cations such as Ag⁺, I⁺, H⁺ to afford merged cationic diiridium complexes. Structural differences and electronic features of iridium–iridium bonding are discussed using X-ray crystallographic analyses as well as in silico studies with density functional theory.

中文翻译：

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单原子阳离子结合到具有1,3-二烯-1,4-二基主链的二聚铱（II）络合物中的Ir-Ir键上

通过铱（I）前体与含炔的双膦配体的络合，发现了具有1,3-丁二烯-1,4-二烷基主链和铱-铱键相互作用的双核铱（II）配合物。该络合物显示出对多种阳离子（例如Ag ⁺，I ⁺，H ^+）的结合能力，从而提供了合并的阳离子二铱络合物。使用X射线晶体学分析以及使用密度泛函理论的计算机模拟研究，讨论了铱与铱键合的结构差异和电子特征。