Cr(η5-C5H5)(CO)3TeC6H5 | 155563-64-7

• 英文名称: Cr(η5-C5H5)(CO)3TeC6H5
• CAS: 155563-64-7
• 化学式: C₁₄H₁₀CrO₃Te
• 分子量: 405.828
• InChiKey: MNDHPQBVFKYSBY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Cr(η5-C5H5)(CO)3TeC6H5 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  （Tellurolato）铬配合物。CpCr（CO）3（TePh），[CpCr（CO）2（TePh）] 2和[CpCr（TePh）] 2Te的合成和晶体结构

  摘要：

  The predominant product isolated from the reaction of [CpCr(CO)3]2 (1; CP = eta5-C5H5) with 1 molar equiv of Ph2Te2 Varies with reaction conditions as follows: CpCr(CO)3(TePh) (2; 67% yield, from an instantaneous reaction at ambient temperature), [CpCr(CO)2(TePh)]2 (3; 80% yield, after 4.5 h at 60-degrees-C), and [CpCr(TePh)]2Te (4; 70% yield, after 4 h at 80-degrees-C). Thermolysis studies showed an interconversion between 2 and 3, accompanied by slow total decarbonylation to 4. An NMR-tube reaction of [CpCr(CO)2]2 with Ph2Te2 at 70-degrees-C for 2 h resulted in the formation of 2 (58%), 3 (4%), and 4 (34%). The complexes, 2-4 have been elementally, spectrally, and structurally characterized. Crystal data: 2, monoclinic, space group P2(1)/c, a = 10.8250(8) angstrom, b = 8.6891(6) angstrom, c = 15.5263(7) angstrom, beta = 98.880(5)-degrees, V = 1442.9(2) angstrom3, Z = 4; 3, triclinic, space group P1BAR, a = 10.0493(8) angstrom, b = 11.0612(6) angstrom, c = 13.263(1) angstrom, alpha = 102.021(6)-degrees, beta = 93.791(7)-degrees, gamma = 105.652(5)-degrees, V = 1376.7(2) angstrom3, Z = 2; 4, monoclinic, space group P2(1)/n, a = 10.1595(7) angstrom, b = 21.505(1) angstrom, c = 10.615(1) angstrom, beta = 95.607(8)-degrees, V = 2308.1(5) angstrom3, Z = 4.

  DOI：

  10.1021/om00017a044
• 作为产物：
  描述：

  以 氘代苯 为溶剂， 生成 Cr(η5-C5H5)(CO)3TeC6H5 、 [Cr(η5-C5H5)(TeC5H5)]2Te
  参考文献：
  名称：

  （Tellurolato）铬配合物。CpCr（CO）3（TePh），[CpCr（CO）2（TePh）] 2和[CpCr（TePh）] 2Te的合成和晶体结构

  摘要：

  The predominant product isolated from the reaction of [CpCr(CO)3]2 (1; CP = eta5-C5H5) with 1 molar equiv of Ph2Te2 Varies with reaction conditions as follows: CpCr(CO)3(TePh) (2; 67% yield, from an instantaneous reaction at ambient temperature), [CpCr(CO)2(TePh)]2 (3; 80% yield, after 4.5 h at 60-degrees-C), and [CpCr(TePh)]2Te (4; 70% yield, after 4 h at 80-degrees-C). Thermolysis studies showed an interconversion between 2 and 3, accompanied by slow total decarbonylation to 4. An NMR-tube reaction of [CpCr(CO)2]2 with Ph2Te2 at 70-degrees-C for 2 h resulted in the formation of 2 (58%), 3 (4%), and 4 (34%). The complexes, 2-4 have been elementally, spectrally, and structurally characterized. Crystal data: 2, monoclinic, space group P2(1)/c, a = 10.8250(8) angstrom, b = 8.6891(6) angstrom, c = 15.5263(7) angstrom, beta = 98.880(5)-degrees, V = 1442.9(2) angstrom3, Z = 4; 3, triclinic, space group P1BAR, a = 10.0493(8) angstrom, b = 11.0612(6) angstrom, c = 13.263(1) angstrom, alpha = 102.021(6)-degrees, beta = 93.791(7)-degrees, gamma = 105.652(5)-degrees, V = 1376.7(2) angstrom3, Z = 2; 4, monoclinic, space group P2(1)/n, a = 10.1595(7) angstrom, b = 21.505(1) angstrom, c = 10.615(1) angstrom, beta = 95.607(8)-degrees, V = 2308.1(5) angstrom3, Z = 4.

  DOI：

  10.1021/om00017a044

文献信息

• Carbon–tellurium bond cleavage in tellurolatochromium complexes. Synthesis and single-crystal structures of [Cr₄(cp)₄Te_nO_4–n](cp =η⁵-C₅H₅, n= 1–3)
  作者：Lai Yoong Goh、Wei Chen

  DOI：10.1039/dt9940002697

  日期：——

  The exhaustive thermolysis of [Cr(cp)(CO)(3)(TePh)] (cp = eta(5)-C5H5) in toluene for 48 h at 80 degrees C led to the isolation of [Cr-4(cp)(4)Te-7] (ca. 24%), [Cr-4(cp)(4)Te3O] (14.4%), [Cr-4(cp)(4)Te2O2] (37.2%) and [Cr-4(cp)(4)TeO3] in minute amounts. Thin-layer chromatography and proton NMR spectral monitoring showed the formation of [Cr-4(cp)(4)Te3O] and [Cr-4(cp)(4)Te2O2] from the intermediate [Cr(cp)(TePh)}Te-2]. Under thermolytic conditions, [Cr-4(cp)(4)Te3O] and [Cr-4(cp)(4)Te2O2] undergo reversible transformation with simultaneous formation of [Cr-4(cp)(4)TeO3]. The structures of three of the complexes were established by X-ray diffraction analysis.