trans-(η(6)-fluorobenzene)Cr(CO)2(SnPh3)2 | 176225-80-2

• 英文名称: trans-(η(6)-fluorobenzene)Cr(CO)2(SnPh3)2
• CAS: 176225-80-2
• 化学式: C₄₄H₃₅CrFO₂Sn₂
• 分子量: 904.175
• InChiKey: UEEBMMFWKYENCH-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

• 作为产物：
  描述：

  氟苯 、 (η6-fluorobenzene)tricarbonylchromium 、 三苯基氢化锡 以 氟苯 为溶剂， 以15%的产率得到trans-(η(6)-fluorobenzene)Cr(CO)2(SnPh3)2
  参考文献：
  名称：

  Photochemical Synthesis of (η⁶-Arene)chromium Hydrido Stannyl and (η⁶-Arene)chromium Bis(stannyl) Complexes

  摘要：

  Photolysis of (eta(6)-arene)Cr(CO)(3) complexes and HSnPh(3) in aromatic solvents at room temperature has led to two classes of complexes: hydride stannyl compounds containing the eta(2)-H-SnPh(3) ligand and bis(stannyl) compounds containing two SnPh(3) ligands. The ratio between the two complexes simultaneously produced depends on the choice of the arene. Complexes with different arenes (mesitylene, toluene, benzene, fluorobenzene, and difluorobenzene) have been obtained and characterized including X-ray structures for (eta(6)-C6H3(CH3)(3))Cr(CO)(2)(H)(SnPh(3)) (1a), (eta(6)-C6H3(CH3)(3))Cr(CO)(2)(SnPh(3))(2) (1b), (eta(6)-C6H5F)Cr(CO)(2)(SnPh(3))(2) (4b), and (eta(6)-C6H4F2)Cr(CO)(2)(SnPh(3))(2) (5b). X-ray Crystallography of the last three compounds has given the following results: 1b, monoclinic, space group P2(1)/c (No. 14), a = 13.905(4) Angstrom, b = 18.499(2) Angstrom, c = 17.708(2) Angstrom, Z = 4, V = 4285(1) Angstrom(3); 4b, orthorhombic, space group Pca2(1) (No. 29), a = 16.717(2) Angstrom, b = 18.453(2) Angstrom, c = 25.766(2) Angstrom, Z = 8, V = 7948(2) Angstrom(3); 5b, monoclinic, space group P2(1)/c (No. 14), a = 13.756(2) Angstrom, b = 18.560(2) Angstrom, c = 17.159(2) Angstrom, Z = 4, V = 4372(2) Angstrom(3). The relatively high J(Sn-119-Cr-H) and J(Sn-117-Cr-H) values as well as the X-ray structural data provide evidence for the existence of three-center two-electron bonds in the hydride stannyl complexes. The H-1 NMR data of the complexes are compared with chromium-arene bond distances, and a sensible trend is observed and discussed.

  DOI：

  10.1021/ic951431z