Ti₆O₃(o-BDC)₂(OⁱPr)₁₄ | 1393444-37-5

• 英文名称: Ti₆O₃(o-BDC)₂(OⁱPr)₁₄
• CAS: 1393444-37-5
• 化学式: C₅₈H₁₀₆O₂₅Ti₆
• 分子量: 1490.74
• InChiKey: DXHYMTXIOHVVMF-UHFFFAOYSA-J

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：

  titanium(IV) isopropylate 、 邻苯二甲酸 、 异丙醇 反应 144.0h， 以40%的产率得到Ti₆O₃(o-BDC)₂(OⁱPr)₁₄
  参考文献：
  名称：

  Titanium–oxo–Clusters with Dicarboxylates: Single-Crystal Structure and Photochromic Effect

  摘要：

  Two titanium-oxo-clusters Ti6O4(o-BDC)(2)(o-(BDCPr)-Pr-i)(2)((OPr)-Pr-i)(10) (1) and Ti6O3(o-BDC)(2)((OPr)-Pr-i)(14) (2) (BDC = benzene dicarboxylate) were prepared by one-step in situ solvothermal synthesis. The compounds are the rare examples of the dicarboxylate-substituted titanium-oxo-clusters. Their crystal structures are successfully measured by single-crystal X-ray analysis. The Ti-6 oxo-clusters of 1 and 2 are constructed by two dual corner-missing cube subunit, Ti3O3. The two subunits are linked by double mu(3)-O bridges for 1 and single mu(2)-O bridge for 2, respectively, and the latter is a new type of carboxylate substituted titanium-oxo-cluster. A photochromic effect was observed upon irradiation of the crystals in the presence of alcohol. The light irradiation changed the color of the crystals from transparent to purple-gray. The Ti(III) signal was detected after the irradiation, and when the sample was exposured in air, superoxide diatomic O-2(center dot-) radical was found. Photodegradation of the methyl orange in aqueous dispersions of microcrystals of the cluster 2 was carried out under UV cut white light with the assistance of H2O2.

  DOI：

  10.1021/ic301092b