[(η5-Cp')WBr3(CO)2] | 261376-36-7

• 英文名称: [(η5-Cp')WBr3(CO)2]
• CAS: 261376-36-7
• 化学式: C₈H₇Br₃O₂W
• 分子量: 558.704
• InChiKey: KRHXXJRHXZVCGJ-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  [(η5-Cp')WBr3(CO)2] 以 甲苯 为溶剂， 以63%的产率得到[(η5-Cp')WBr3]2
  参考文献：
  名称：

  Preparation of trichloro- and tribromocyclopentadienyltungsten(IV)

  摘要：

  The thermal decarbonylation of (Ring)WX3(CO)(2) in refluxing toluene has led to the preparation of the CO-free compounds [(Ring)WX3](2) [Ring = eta(5)-C5H5 (Cp) and X = Cl (1a) or Br (1b); Ring = eta(5)-C5H4Me (Cp'), X = Cl (2a) or Br (2b); Ring = eta(5)-C5Me5 (Cp*), X = Cl (3)]. The NMR properties of these molecules are consistent with diamagnetism and thereby indicate a different structure from that of the paramagnetic molybdenum analogues. Compounds la and la react with dppe to afford mononuclear 18-electron adducts, (Ring)WCl3(dppe) (Ring = Cp (4) or Cp' (5)). The X-ray structure of 5 shows a pseudo-fac-octahedral geometry with the dppe ligand occupying two equatorial (e.g. cis relative to Cp') coordination sites. The X-ray structure of two by-products of the synthetic processes are also reported, e.g. Cp-3'W3Cl3(mu(2)-Cl)(2)(mu(3)-O) (6) and [Cp*WCl3](2)(mu-O) (7). (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00292-2
• 作为产物：
  描述：

  溴 、 [(η5-C5H4Me)W(CO)3]2 以 二氯甲烷 为溶剂， 以78%的产率得到[(η5-Cp')WBr3(CO)2]
  参考文献：
  名称：

  Cyclopentadienyltungsten(IV) chemistry: Synthesis and characterization of (η-ring)WX3(CO)2 (ring  C5H5, C5H4Me, C5Me5) and X-ray structure of (η-C5Me5)WBr3(CO)2

  摘要：

  The W-IV carbonyl compounds [(Ring)WX(3)(CO)(2)](Ring = C5H5, C(5)H(4)Me, C(5)Me(5); X = Cl, Br, I) have been prepared by a one-step oxidation of the corresponding [(Ring)W(CO)(3)](2) with PhICl(2), Br-2 and I-2, respectively, in high yields. The structure of Cp*WBr3(CO)(2) has been elucidated by X-ray methods. It exhibits a distorted, pseudo octahedral arrangement of the Cp*, two CO and three Br ligands in a facial configuration.

  DOI：

  10.1016/0277-5387(94)00498-4