[(1,2,5,6-η)-环辛烷-1,5-二烯](1-乙基-4-异丁基-1,2,4-三唑-5-基-亚烯)(三苯基膦)四氟硼酸铱(I)二-氯甲烷半甲醇酯。

IUCrData Pub Date : 2024-09-01 DOI:10.1107/S2414314624009416

Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan

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引用次数: 0

摘要

我们合成了一种新的三唑基 N-杂环碳烯 IrI 阳离子络合物，它具有一个四氟硼酸阳离子和半溶解的二氯甲烷，即 [Ir(C8H12)(C8H15N3)(C18H15P)]BF4-0.5CH2Cl2 ，并对其进行了结构表征。不对称单元中有两个独立的离子对，每两个离子对有一个二氯甲烷溶剂分子。阳离子配合物在 IrI 原子周围呈现扭曲的方平面构象，由一个双叉环辛烷-1,5,二烯（COD）配体、一个三苯基膦烷配体和一个 N-杂环碳烯（NHC）形成。四氟硼酸阴离子与 IrI 复合物分子结构之间存在若干紧密的非标准 H⋯F 氢键相互作用。该复合物在转移加氢反应中显示出良好的催化活性。该复合物的结构被细化为一个非斜面孪晶，其中一个 COD 晶胞在统计上是无序的。

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[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate

A new triazole-based N-heterocyclic carbene cationic iridium(I) complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C₈H₁₂)(C₁₈H₁₅P)(C₈H₁₅N₃)][BF₄]·0.5CH₂Cl₂, has been structurally characterized.

A new triazole-based N-heterocyclic carbene Ir^I cationic complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C₈H₁₂)(C₈H₁₅N₃)(C₁₈H₁₅P)]BF₄·0.5CH₂Cl₂, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one dichloromethane solvent molecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the Ir^I atom, formed by a bidentate cycloocta-1,5,diene (COD) ligand, a triphenylphosphane ligand, and an N-heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding interactions that orient the tetrafluoridoborate anions with respect to the Ir^I complex molecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD molecules is statistically disordered.

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