(η-9-dimethylsulfonio-7,8-dicarbolide)rhodium(η-1,5-cyclooctadiene) | 151564-19-1

• 英文名称: (η-9-dimethylsulfonio-7,8-dicarbolide)rhodium(η-1,5-cyclooctadiene)
• 英文别名: (η-9-SMe2-7,8-C2B9H10)Rh(cod))
• CAS: 151564-19-1
• 化学式: C₁₂H₂₈B₉RhS
• 分子量: 404.625
• InChiKey: GMSWUHCKUCJPRD-GCOBPYNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  盐酸 、 (η-9-dimethylsulfonio-7,8-dicarbolide)rhodium(η-1,5-cyclooctadiene) 以 水 、 丙酮 为溶剂， 以76%的产率得到[3,3-Cl₂-4-Me₂S-3,1,2-RhC₂B₉H₁₀]₂
  参考文献：
  名称：

  单阴离子碳硼烷配体[9-SMe 2 -7,8 -C 2 B 9 H 10 ] -的铑配合物的合成与结构

  摘要：

  （Rhodacarborane）卤化物配合物[（η-9-SME 2 -7,8- -C 2乙9 ħ 10）RHX 2 ] 2（图4a：X =氯;图4b：X = Br的;图4c：X = I），其类似于的[Cp * RHX 2 ] 2，通过（η-9的SME的反应合成2 -7,8- -C 2乙9 ħ 10）的Rh（COD）（COD = 1,5-环辛二烯）配有HX。化合物4用于制备几个三明治和含有半夹心络合物（η-9-SME 2 -7,8- -C 2乙9 ħ 10）Rh片段。2E配体破坏的二聚结构4，得到加合物（η-9-SME 2 -7.8-C 2乙9 ħ 10）RhLX 2，通过制备（η-9的SME的例举2 -7.8 -C 2乙9 ħ 10）的Rh（CO）我2和（η-9-SME 2 -7,8- -C 2乙9 ħ 10）的Rh（PPH 3）氯2。的反应4A与DPPE在TlBF存在4得到阳离子络合物[（η-9-SME

  DOI：

  10.1016/s0022-328x(02)01382-7
• 作为产物：
  描述：

  di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium 、 Tl{9-SMe2-7,8-nido-C2B9H10} 以 二氯甲烷 为溶剂， 以63%的产率得到(η-9-dimethylsulfonio-7,8-dicarbolide)rhodium(η-1,5-cyclooctadiene)
  参考文献：
  名称：

  The chemistry of monoanionic carbaborane ligands. Synthesis and structure of compounds with carbonyl and cycloocta-1,5-diene ligands additionally bound to metal atoms, including a cationic carbametallaborane

  摘要：

  Reaction of [(ML2Cl)2] with Tl[9-SMe2-nido-7,8-C2B9H10] affords the new compounds [3,3-L2-4-SMe2-closo-3,1,2-MC2B9H10]. Compounds 1 (M = Rh, L = CO), 2 (M = Rh, L2 = eta2,eta2-1,5-C8H12) and 3 (M = Pd, L2 = eta2,sigma-5-OMe-C8H12) were characterised by microanalysis, multinuclear NMR spectroscopy and, in the case of 1 and 2, single-crystal X-ray diffraction studies. The experimentally determined conformations of the ML2 fragments relative to the carbaborane ligands in 1 and 2 are in broad agreement with those predicted by analysis of the results of extended Huckel molecular orbital (EHMO) calculations on model compounds, especially in the case of 2. Reaction of 3 with HBF4 in diethyl ether affords the cationic heteroborane [3-(eta2,eta2-1,5-C8H12)-4-SMe2-closo-3,1,2-PdC2B9H10]+ 4+. Crystallographic study of 4+BF4- reveals a molecular conformation substantially influenced by H ... F inter-ion contacts. Comparative EHMO calculations on 2 and 4+ imply that the majority of the additional positive charge in the latter is not localised on the pendant sulfur atom alone, but rather is delocalised over the 12 cluster vertices and the atoms directly bonded to them.

  DOI：

  10.1039/dt9930001917

文献信息

• Synthesis of rhodacarborane halide complexes [(η-9-Me2S-7,8-C2B9H10)RhX2]2 (X=Cl, Br, or I)
  作者：A. R. Kudinov、V. I. Meshcheryakov、P. V. Petrovskii、M. I. Rybinskaya

  DOI：10.1007/bf02494834

  日期：1999.9