[La(H2O)(trans,trans,trans-1,2,3,4-cyclobutanetetracarboxylate)](n) | 496030-20-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [La(H2O)(trans,trans,trans-1,2,3,4-cyclobutanetetracarboxylate)](n)
• 英文别名: [La(H2O)(trans,trans,trans-cbtc](n)
• CAS: 496030-20-7
• 化学式: C₈H₅O₈*H₂O*La
• 分子量: 386.044
• InChiKey: IKEKSLWUGHWWJH-SCDGVUDCSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -6.03
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  189.19
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  氯化镧水合物 、 1,2-cis-2,3-trans-3,4-cis-cyclobutane-1,2,3,4-tetracarboxylic acid 、 水 在 KOH 作用下， 以 水 为溶剂， 生成 [La(H2O)(trans,trans,trans-1,2,3,4-cyclobutanetetracarboxylate)](n)
  参考文献：
  名称：

  A new three-dimensional coordination polymer containing trans,trans,trans-cyclobutanetetracarboxylate and edge-sharing LaO9 polyhedral chains

  摘要：

  A novel three-dimensional open-framework La(H2O)(H(4)cbtc(3-)) (1) (H(4)cbtc = 1,2,3,4-cyclobutanetetracarboxylic acid) has been synthesized hydrothermally in basic aqueous solution. Its crystal structure was solved by single crystal X-ray diffraction, and characterized by powder X-ray diffraction, thermogravimetric analysis, FT-IR and elementary analysis. The structure of 1 consists of infinite edge-sharing LaO8(H2O) polyhedral chains along the [100] direction, connected by HcbtC(3-) along the [010] and [001] directions. The Hcbtc(3-) in 1 has four interconnecting carboxylate groups of all trans conformations, which include one deprotonated carboxylates among the four carboxylate groups. The prepared lanthanum carboxylate polymer has high thermal stability up to 400 degreesC and could be dehydrated at above 200 degreesC at nitrogen atmosphere. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00901-5