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首页> 外文期刊>Crystal growth & design >Gas-phase assembling of dirhodium units into a novel organometallic ladder: Structural and DFT study
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Gas-phase assembling of dirhodium units into a novel organometallic ladder: Structural and DFT study

机译：铱单元的气相组装成新型有机金属阶梯：结构和DFT研究

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A hydrocarbon that has three separate aromatic rings, namely 1,4-bis(p-tolylethyl) benzene (C24H26), has been structurally characterized for the first time and tested as an elongated aromatic pi-donor in assembling reactions under solvent-free conditions. Its gas-phase interaction with the electrophilic dimetal complex, [Rh-2(O2CCF3)(4)], affords single crystals of a novel organometallic complex, [Rh-2(O2CCF3)(4)](2) center dot(C24H26). The product has a ladder type structure built on weak but directional rhodium(II)-pi-arene interactions. In the above framework, each C24H26 exhibits a tetradentate-bridging coordination having four rhodium( II) centers attached to the opposite sides of the two peripheral benzene rings. The underlying reasons for such coordination defining the formation of the title product have been discussed based on the results of density functional theory, namely the orbital interaction analysis of the reacting partners.
机译：具有三个单独的芳环的烃，即1,4-双（对甲苯乙基）苯（C24H26），已首次进行结构表征，并在无溶剂条件下的组装反应中作为伸长的芳族π供体进行了测试。它与亲电子双金属配合物[Rh-2（O2CCF3）（4）]的气相相互作用提供了新型有机金属配合物[Rh-2（O2CCF3）（4）]（2）中心点（C24H26）的单晶。 ）。该产品具有基于弱但有方向性的铑（II）-π-芳烃相互作用的阶梯型结构。在上述框架中，每个C24H26表现出四齿桥联配位，其四个铑（II）中心附着在两个外围苯环的相对侧。基于密度泛函理论的结果，即对反应伙伴的轨道相互作用分析，讨论了定义标题产物形成的这种协调的根本原因。

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