{7,7,9-(PPh3)3-isonido-7-IrB9H10} | 89001-32-1

• 英文名称: {7,7,9-(PPh3)3-isonido-7-IrB9H10}
• 英文别名: [7,7-(PPh3)2-7,10-H-μ-8,9-H-isonido-7-IrB9H8-9-(PPh3)]
• CAS: 89001-32-1
• 化学式: C₅₄H₅₅B₉IrP₃
• 分子量: 1086.47
• InChiKey: UNPZIKYTGVOZJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [(triphenylphosphine)3IrCl] C54H45ClIrP3, golden 、 {NEt4}{nido-B9H12} 以 二氯甲烷 为溶剂， 以2%的产率得到{7,7,9-(PPh3)3-isonido-7-IrB9H10}
  参考文献：
  名称：

  Ten-vertex metallaborane chemistry. Aspects of the iridadecaborane closo→isonido→isocloso structural continuum

  摘要：

  Reaction of the arachno-[B9H14]- or nido-[B9H12]- anions with [IrCl(PPh3)3] at ca. 298 K gives, in addition to previously reported species, pale violet [7,7,9-(PPh3)3-isonido-7-IrB9H10] 2 in yields of ca. 2%. Single crystal X-ray diffraction analysis and multinuclear NMR spectroscopy reveal a ten-vertex {IrB9} cluster of an 'isonido' type that is based upon the closo eleven-vertex structure of [B11H11]2- from which a four-connected vertex is removed to generate a four-membered open face. There are two fluxional bridging hydrogen atoms associated with the open face. Thermolysis at ca. 355 K of solutions in 1,1,2,2-tetrachloroethane of yellow [5,7-(PPh3)2-5-H-5-(omicron-Ph2PC6H4)-nido-5-IrB9H10-2] 4 result in loss of hydrogen and the formation of deep purple [8-Cl-7,9-(PPh3)2-7-(omicron-Ph2PC6H4)-isonido-7-IrB9H6-10] 5 (0-5%) and royal blue [7,9-(PPh3)2-7-(omicron-Ph2PC6H4)-isonido-7-IrB9H9-10] 6 (0-5%). Single-crystal X-ray diffraction shows that compounds 5 and 6 also have isonido cluster structures, although 5 does not have bridging hydrogen atoms on the open face, suggesting that any extra electrons required for it to be isoelectronic with 2 and 6 may originate from the metal vertex. The structure of the crystal of compound 6 examined was found to contain ca. 25 mole % of the isostructural 3-chloro derivative 6a. The ten-vertex clusters 2, 5 and 6 are part of 3 structural continuum ranging from closo through isonido to isocloso. It is proposed that these isonido compounds represent intermediates in a variety of reactions involving nido to isocloso cluster oxidations and nido to nido rearrangements.

  DOI：

  10.1039/dt9920000563