trans-[(η5-C5H3(SiMe3)2)Mo(CO)2IPMePh2] | 183484-18-6

• 英文名称: trans-[(η5-C5H3(SiMe3)2)Mo(CO)2IPMePh2]
• CAS: 183484-18-6
• 化学式: C₂₆H₃₄IMoO₂PSi₂
• 分子量: 688.544
• InChiKey: KVESCSRDFAQFLW-UHFFFAOYSA-M

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：

  [(η5-C5H3(SiMe3)2)Mo(CO)3I] 、 二苯基甲氧基膦 在 cyclopentadienyl iron(II) dicarbonyl dimer 作用下， 以 苯 为溶剂， 生成 trans-[(η5-C5H3(SiMe3)2)Mo(CO)2IPMePh2]
  参考文献：
  名称：

  Substituted cyclopentadienyl ligands—10. Intramolecular steric interactions in [(η5-C5H3(SiMe3)2)Mo(CO)2(L)I]

  摘要：

  Reaction of C5H4(SiMe(3))(2) with Mo(CO)(6) yielded [(mu(5)-C5H3(SiMe(3))(2))Mo(CO)(3)](2), which on addition of iodine gave [(eta(5)-C5H3(SiMe(3))(2))Mo(CO)(3)I]. Carbonyl displacement by a range of ligands : [L = P(OMe)(3), P(OPri)(3), P(O-o-tol)(3), PMe(3), PMe(2)Ph, PMePh(2), PPh(3), P(m-tol)(3)] gave the new complexes [(eta(5)-C5H3(SiMe(3))(2))Mo(CO)(2)(L)I]. For all L the trans isomer was the dominant, if not exclusive: isomer formed in the reaction. An NOE spectral analysis of [(eta(5)-C5H3(SiMe(3))(2))Mo(CO)(2)(L)I] [L = PMe(2)Ph, P(OMe)(3)] revealed that the L group resided on the sterically uncongested side of the cyclopentadienyl ligand and that the ligand did not access the congested side of the molecule. Quantification of this phenomenon [L = P(OMe)(3)] was achieved by means of the vertex angle of overlap methodology. This methodology revealed a steric preference with the trans isomer (less congestion of CO than I with an SiMe(3) group) being the more stable isomer for L = P(OMe)(3). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0277-5387(96)00188-x