[(μ-H)3-(Fe(triphos))-SnB11H11] | 906670-96-0

• 英文名称: [(μ-H)3-(Fe(triphos))-SnB11H11]
• 英文别名: Fe(SnB11H11)(1,1,1-tris(diphenylphosphanylmethyl)ethane)；[2,7,8-(μ-H)3-(Fe(triphos))-SnB11H11]；Fe(SnB11H11)(triphos)
• CAS: 906670-96-0
• 化学式: C₄₁H₅₀B₁₁FeP₃Sn
• 分子量: 929.247
• InChiKey: XONUCROKKXZYRG-UHFFFAOYSA-N

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：

  [(μ-H)3-(Fe(triphos))-SnB11H11] 、 碘 以 二氯甲烷 为溶剂， 以75%的产率得到Fe(I2SnB11H11)(1,1,1-tris(diphenylphosphanylmethyl)ethane)
  参考文献：
  名称：

  Iodination of Stanna-closo-dodecaborate

  摘要：

  The dianionic stannaborate [SnB11H11](2-) oxidatively adds iodine at the tin vertex to give the iodinated cluster [I2SnB11H11](2-) which maintains a closo structure, albeit having a nido electron count. The iodo-stannaborate [I2SnB11H11](2-) is unstable at room temperature, but its structure was elucidated via single-crystal X-ray diffraction at low temperatures. The low-temperature B-11 NMR spectrum exhibits a 5:1:5 signal pattern, and the Sn-119 NMR shows a resonance at -1039 ppm. Iodination of the zwitterionic stannaborate iron complex Fe(SnB11H11)(triphos) leads to the formation of the corresponding iodo-stannaborate iron complex Fe(I2SnB11H11)(triphos) which features an iodinated stannaborate moiety that has a structure analogous to that of [I2SnB11H11](2-). The zwitterionic iodo-stannaborate complex is stable at room temperature, and the crystal structure and the H-1, B-11, P-31, and Sn-119 NMR parameters were determined. Sn-119 Mossbauer spectroscopy supports the assignment of a tin oxidation state of +II for Fe(SnB11H11)(triphos) (delta = 2.71 mm s(-1)) and +IV for Fe(I2SnB11H11)(triphos) (delta = 1.22 mm s(-1)). Additional Fe-57 Mossbauer spectra confirm the iron oxidation state +II for both compounds.

  DOI：

  10.1021/ic0622858