[η5:η1-κP-(2-P,P-dimethylphosphanylethyl)cyclopentadienyl]trichlorozirconium(IV) dimer | 866607-45-6

• 英文名称: [η5:η1-κP-(2-P,P-dimethylphosphanylethyl)cyclopentadienyl]trichlorozirconium(IV) dimer
• 英文别名: ((η5η1-κP-C5H4CH2CH2PMe2)ZrCl2)2(μ-Cl)2
• CAS: 866607-45-6
• 化学式: C₁₈H₂₈Cl₆P₂Zr₂
• 分子量: 701.534
• InChiKey: OOFPUPCVGFUFCQ-UHFFFAOYSA-H

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:η1-κP-(2-P,P-dimethylphosphanylethyl)cyclopentadienyl](tetrahydrofuran)trichlorozirconium(IV) 以 二氯甲烷 为溶剂， 生成 [η5:η1-κP-(2-P,P-dimethylphosphanylethyl)cyclopentadienyl]trichlorozirconium(IV) dimer
  参考文献：
  名称：

  Mono- and bis-[2-(P,P-dimethylphosphanyl)ethyl]tetramethylcyclopentadienyl zirconium(IV) complexes: Synthesis and structural studies in crystalline state and in solutions

  摘要：

  Synthetic routines for a new ligand C5Me4CH2CH2PMe2 (2b) in forms of its Li- (2b-Li), Na- (2b-Na) salts and in the CH-form (2b-H), as well as for silanes Me3Si-C5H4CH2CH2PMe2 (3a) and Me3Si-C5Me4CH2CH2PMe2 (3b) have been developed. On the basis of it, new half-sandwich [eta(5) :eta(1)-kappa P-C5H4CH2CH2PMe2]ZrCl3 (4a), [eta(5):eta(1)-kappa P-C5Me4CH2CH2PMe2]ZrCl3 (4b) and sandwich [eta(5)-C5Me4CH2CH2PMe2](2)ZrCl2 (5), [eta(5)-C5Me4CH2CH2PMe2][eta(5)-C5Me5]ZrCl3 (6) complexes of Zr(IV) have been prepared and characterized. Along with them, the first example of X-ray structurally characterized dinuclear Zr(IV) complex incorporating both sandwich (6) and half-sandwich (4b) moieties linked one to another by means of Zr P coordination bond 7, has been described. Formation of an analogously organized trinuclear complex 8, built from one sandwich fragment of 5 and two half-sandwich fragments of 4b was proved by NMR spectroscopy methods. Molecular structures of half-sandwich complexes in their solvent-free dimeric forms (4a and 4b) and as 1: 1 adducts with THF (4a-THF and 4b-THF) along with those of dinuclear complex 7 have been established by X-ray diffraction analyses. The dynamic behavior for di- and trinuclear complexes 7 and 8, due to the intermolecular dissociation-coordination of the Me2P-groups in THF-d(8) solutions has been studied by variable-temperature NMR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.06.008