| 872422-27-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 872422-27-0
• 化学式: C₂₄H₃₄Te
• 分子量: 450.134
• InChiKey: OGNUNAPWKVURGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.72
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  在 溴 作用下， 生成
  参考文献：
  名称：

  Diaryl Tellurium Dihalides: From Te-Tetracoordinated Compounds to Te-Tricoordinated Molecular Complexes

  摘要：

  X-ray structural studies demonstrate that diaryl tellurium diiodides can be constrained by steric factors (ortho-alk.yl substituents) to adopt a trigonal pyramidal structure in preference to the expected bisphenoidal structure. DFT calculations are shown to reproduce successfully structural details of the title compounds; they allow one to predict which coordination number should be energetically favored. All compounds are chiral, but the barrier to stereomutation by intra- and intermolecular pathways (60-85 kJmol(-1)) is rather low.

  DOI：

  10.1080/10426500590906256
• 作为产物：
  描述：

  Bis(2,4,6-triethylphenyl)ditellane 生成
  参考文献：
  名称：

  Diaryl Tellurium Dihalides: From Te-Tetracoordinated Compounds to Te-Tricoordinated Molecular Complexes

  摘要：

  X-ray structural studies demonstrate that diaryl tellurium diiodides can be constrained by steric factors (ortho-alk.yl substituents) to adopt a trigonal pyramidal structure in preference to the expected bisphenoidal structure. DFT calculations are shown to reproduce successfully structural details of the title compounds; they allow one to predict which coordination number should be energetically favored. All compounds are chiral, but the barrier to stereomutation by intra- and intermolecular pathways (60-85 kJmol(-1)) is rather low.

  DOI：

  10.1080/10426500590906256