N-Heterocyclic carbene functionalized iridium phosphinidene complex [Cp(NHC)Ir = PMes]: comparison of phosphinidene, imido, and carbene complexes

Arjan T.Termaten; Marius Schakel; Andreas W.Ehlers; Martin Lutz; Anthony L.Spek; Koop Lammertsma

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N-Heterocyclic carbene functionalized iridium phosphinidene complex [Cp(NHC)Ir = PMes]: comparison of phosphinidene, imido, and carbene complexes

机译：N-杂环卡宾官能化铱次膦配合物[Cp（NHC）Ir = PMes]：次膦，亚氨基和卡宾配合物的比较

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The novel phosphinidene complex [Cp(NHC)Ir = PMes] (3; NHC = 1,2-diisopropyl-4,5-dimethylimidazol-2-ylidene) was prepared in high yield from [Cp(NHC)IrCl_2] (2) and [LiPHMes]·3THF. It represents the first example of an NHC ligated transition metal phosphinidene complex. The X-ray crystal structure for 3 is also reported. DFT calculations on the N-heterocyclic carbene containing parent complexes [Cp(NHC)Ir =E] (E = PH, NH, CH_2) show that the NHC ligand acts as good sigma-donor/weak pi-acceptor ligand and forms strong Ir-C(NHC) single bonds. The Ir=E double bonds results from strong triplet-triplet interactions between [Cp(NHC)Ir] and E.

机译：从[Cp（NHC）IrCl_2]（2）以高收率制备了新型次膦化合物[Cp（NHC）Ir = PMes]（3; NHC = 1,2-二异丙基-4,5-二甲基咪唑-2-亚烷基）（2）和[LiPHMes]·3THF。它代表了NHC连接的过渡金属次亚膦配合物的第一个例子。还报道了3的X射线晶体结构。对含有N-杂环卡宾的母体配合物[Cp（NHC）Ir = E]（E = PH，NH，CH_2）的DFT计算表明，NHC配体可作为良好的σ-供体/弱π-受体配体并形成强Ir -C（NHC）单键。 Ir = E双键由[Cp（NHC）Ir]与E之间的强三联体-三重态相互作用产生。

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《Chemistry: A European journal》 |2003年第15期|共6页
作者
Arjan T.Termaten; Marius Schakel; Andreas W.Ehlers; Martin Lutz; Anthony L.Spek; Koop Lammertsma;
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正文语种 eng
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carbenes; density functional calculations; iridium; P ligands;

机译：卡宾;密度泛函计算;铱;P配体;

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1. N-Heterocyclic carbene functionalized iridium phosphinidene complex [Cp(NHC)Ir = PMes]: comparison of phosphinidene, imido, and carbene complexes [J] . Arjan T.Termaten, Marius Schakel, Andreas W.Ehlers, Chemistry: A European journal . 2003,第15期

机译：N-杂环卡宾官能化铱次膦配合物[Cp（NHC）Ir = PMes]：次膦，亚氨基和卡宾配合物的比较
2. A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)(2)PdX2 (X=I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a] pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions [J] . Modak Sudipta, Borah Suchibrata, Prakasham A. P., Inorganica Chimica Acta . 2019,第期

机译：（A / N-NHC）PDX2（吡啶）和（A / N-NHC）（2）PDX2（X = I，CL）异常熔融 - 双环咪唑的型复合物（A / N-NHC）和（A / N-NHC）（2）PDX2（X = I，CL）[1,2-A]吡啶基正杂胺基于苏苏 - 宫达偶联反应中的正杂环基石（A-NHC）和正常的咪唑基N-杂环（N-NHC）配体
3. N-Heterocyclic Carbene Functionalized Group 7-9 Transition Metal Phosphinidene Complexes [J] . Aktas H, Slootweg JC, Ehlers AW, Organometallics . 2009,第17期

机译：N-杂环碳烯官能团7-9过渡金属膦亚基配合物
4. Synthesis of Nickel(II) N-Heterocyclic Carbene (NHC) Complexes, Catalyzing Cross-coupling Reactions [C] . Kouki Matsubara, Keita Ueno Symposium on Organometallic Chemistry . 2006

机译：合成镍（II）正杂环基石（NHC）复合物，催化交叉偶联反应
5. The chemistry of three-coordinate nickel phosphinidene, imido, and carbene complexes. [D] . Waterman, Rory. 2004

机译：三配位镍次膦，亚氨基和卡宾配合物的化学性质。
6. Stereogenic-at-Metal Zn- and Al-based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations [O] . Yunmi Lee, Bo Li, Amir H. Hoveyda -1

机译：立体源金属含有Zn和al基N-杂环卡宾（NHC）配合物如双官能催化剂在Cu中免费对映选择性烯丙烷基化
7. N-Heterocyclic Carbene Functionalized Iridium Phsophinidene Complex Cp*(NHC)Ir=PMes*. Comparison of Phosphinidene, Imido, and Carbene Complexes [O] . Termaten, A.T., Schakel, M., Ehlers, A.W., 2003

机译：N-杂环碳烯官能化的铱金属亚膦配合物Cp *（NHC）Ir = PMes *。次膦，亚氨基和碳烯配合物的比较

N-Heterocyclic carbene functionalized iridium phosphinidene complex [Cp(NHC)Ir = PMes]: comparison of phosphinidene, imido, and carbene complexes

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