dilithium 1,2-benzenedicarboxylate | 15968-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dilithium 1,2-benzenedicarboxylate
• 英文别名: Dilithium phthalate hemihydrate；lithium phthalate；dilithium phthalate；Dilithiumphthalat；lithium;phthalate
• CAS: 15968-00-0；22208-42-0；67308-02-5
• 化学式: C₈H₄O₄*2Li
• 分子量: 177.999
• InChiKey: LJURPJZOPVZKTQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.58
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  dilithium 1,2-benzenedicarboxylate 以 水 为溶剂， 生成 neptunyl monophthalate
  参考文献：
  名称：

  Synthesis and properties of Np(VI) and Pu(VI) monophthalates

  摘要：

  制备并鉴定了镎（VI）和钚（VI）单酞酸盐。从冷溶液中分离出了 AnO2 (COO)2C6H4 ⋅ 2H2O 复合物，从热溶液中分离出了 AnO2 (COO)2C6H4 ⋅ 1.33H2O 复合物。NpO2 (COO)2C6H4 b. 2H2O 和 PuO2 (COO)2C6H4 ⋅ 2H2O 分别在三斜系和单斜系中结晶。AnO2(COO)2C6H4 ⋅ 1.33H2O 复合物结构相同，在斜方晶系中结晶。研究了这些配合物的热行为。记录了它们的红外光谱和电子吸收光谱。将这些络合物的性质与已知的单酞酸铀(VI)的性质进行了比较。

  DOI：

  10.1007/s11137-005-0002-0

文献信息

• Synthesis of new crystalline Pu(V) compounds from solutions: I. Structure and characteristics of a double Pu(V) phthalate with [Co(NH3)6]3+ in the outer sphere
  作者：N. N. Krot、A. A. Bessonov、M. S. Grigor?ev、I. A. Charushnikova、V. I. Makarenkov

  DOI：10.1007/s11137-005-0027-4

  日期：2004.11

  The conditions of synthesis of Pu(V) phthalates by conversion of Pu(VI) into the pentavalent state with addition of H2O2 in the presence of excess of phthalate ions (L) were determined. Subsequent addition of [Co(NH3)6]Cl3 allowed isolation of crystalline [Co(NH3)6][PuO2L2]⋅2H2O isostructural with [Co(NH3)6][NpO2L2]⋅2H2O studied previously. The thermal behavior and IR spectra of both compounds were studied.

  在邻苯二甲酸根离子（L）过量存在的情况下，通过加入 H2O2 将 Pu(VI) 转化为五价态，确定了合成 Pu(V) 邻苯二甲酸盐的条件。随后加入[Co(NH3)6]Cl3，分离出与之前研究的[Co(NH3)6][NpO2L2]⋅2H2O 结构相同的结晶[Co(NH3)6][PuO2L2]⋅2H2O。研究了这两种化合物的热行为和红外光谱。
• Crystal structure of U(VI) phthalate dihydrate [UO2(OOC)2C6H4?H2O]?H2O
  作者：I. A. Charushnikova、N. N. Krot、Z. A. Starikova

  DOI：10.1007/s11137-005-0026-5

  日期：2004.11

  Crystalline uranyl phthalate dihydrate was prepared by hydrothermal method, and its crystal structure was determined. The crystal structure consists of infinite chains [UO2LH2O]n coupled in bands [(UO2)2L2(H2O)2]n [L = C6H4(COO)2], between which water molecules of crystallization are located. The coordination polyhedron of uranium atoms is a pentagonal bipyramid with the equatorial plane formed by oxygen atoms of three phthalate ions and coordinated water molecule. The U-O bond length in the UO 2 2+ cations is 1.766 Å. The coordination capacity of the ligands is 4. Anions are bidentately coordinated to uranium atoms to form seven-membered rings. Being bridging ligands, phthalate ions combine the neighboring uranium atoms into chains through one carboxy group, and the chains into bands, through the other carboxy group.

  采用水热法制备了二水合邻苯二甲酸铀酰结晶，并测定了其晶体结构。晶体结构由无限链[UO2L ]n组成，这些链以带状[(UO2)2L2(H2O)2]n[L = C6H4(COO)2]耦合，结晶水分子位于这些链之间。铀原子的配位多面体是一个五角二棱锥，赤道面由三个邻苯二甲酸根离子的氧原子和配位水分子构成。UO 2 2+ 阳离子中的 U-O 键长度为 1.766 Å，配体的配位能力为 4。 阴离子与铀原子双价配位，形成七元环。作为桥接配体，邻苯二甲酸盐离子通过一个羧基将邻近的铀原子结合成链，并通过另一个羧基将链结合成带。