[(η1:η1-phenothiazine(-1H))(μ-κ1-AlEt2Cl)]2(μ-Cr) | 1428901-52-3

• 英文名称: [(η1:η1-phenothiazine(-1H))(μ-κ1-AlEt2Cl)]2(μ-Cr)
• 英文别名: [(η¹:η¹-phenothiazine(-1H))(μ-κ¹-AlEt₂Cl)]₂(μ-Cr)
• CAS: 1428901-52-3
• 化学式: C₃₂H₃₆Al₂Cl₂CrN₂S₂
• 分子量: 689.648
• InChiKey: JTBMBQCWZWJBFE-UHFFFAOYSA-L

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：

  吩噻嗪 、 氯化铬(II) 、 氯化二乙基铝 在 正丁基锂 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 6.0h， 以71%的产率得到[(η1:η1-phenothiazine(-1H))(μ-κ1-AlEt2Cl)]2(μ-Cr)
  参考文献：
  名称：

  Heterometallic Aluminum–Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex

  摘要：

  Treatment of a suspension of phenazine and CrCl2(THF)(2) in toluene with 4 equiv of triethylaluminum (Scheme 1) affords the pentanuclear, heterobimetallic, and divalent [AlEt2(THF)(mu(3)-eta(1):eta(1)-C12H8N2) (mu-kappa(1)-AlEt2Cl)](2)(mu-Cr) (1). In this species the two nitrogen atoms of each phenazine ligand are connected to three metals. A similar reaction with thiophenazine afforded trimetallic [(eta(1):eta(1)-C12H8NS)(mu-kappa(1)-AlEt2Cl)](2)(mu-Cr) (2), where the sulfur atoms remained uncoordinated. When the preparation of 1 was carried out in the presence of excess Et3Al, the reaction took a different pathway, affording [AlEt2](2)(mu-eta(1):eta(1)-eta(6):eta(6)-C12H8N2Cr)(2) (3). The aluminate residues hold two parallel and eclipsed phenazine molecules, forming a rigid cage where the two chromium atoms are encapsulated. The ambiguity about the metal oxidation state has been solved by DFT calculations, revealing the formal oxidation state of chromium as being better described as monovalent.

  DOI：

  10.1021/om3012097