(Cu(1,10-phenanthroline)(VO)(O3PCH2PO3)(H2O)) | 353795-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: (Cu(1,10-phenanthroline)(VO)(O3PCH2PO3)(H2O))
• 英文别名: (Cu(phen)(VO)(O3PCH2PO3)(H2O))
• CAS: 353795-81-0
• 化学式: CH₂O₆P₂*C₁₂H₈N₂*Cu*H₂O*OV
• 分子量: 500.682
• InChiKey: RTGIVHUMHRKPOQ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -1.39
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  200.73
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 Sodium orthovanadate 、 copper(II) choride dihydrate 、 亚甲基二磷酸 在 (n-C₄H₉)4NOH 作用下， 以 水 为溶剂， 以30%的产率得到(Cu(1,10-phenanthroline)(VO)(O3PCH2PO3)(H2O))
  参考文献：
  名称：

  Solid-State Coordination Chemistry:  Structural Influences of Copper−Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O₃PCH₂PO₃)(H₂O)], [{Cu(phen)}₂(V₂O₅)(O₃PCH₂CH₂PO₃)], and [{Cu(phen)}₂(V₃O₅)(O₃PCH₂CH₂CH₂PO₃)₂(H₂O)] and of the Three-Dimensional Phase [{Cu(phen)}₂(V₃O₅)(O₃PCH₂PO₃)₂(H₂O)]

  摘要：

  The hydrothermal reactions of CuCl2. 2H(2)O, Na3VO4, 1,10-phenanthroline, and the appropriate organodiphosphonate ligand yield [Cu(phen)(VO)(O3PCH2PO3)(H2O)] (1), [{Cu(phen)}(2)(V2O5)(O3PCH2CH2PO3)] (2), [{Cu(phen)}(2)(V3O5)(O3PCH2CH2CH2PO3)] (H2O)]; (3) and [{Cu(phen)}(2)(V3O5)(O3PCH2PO3)(2)(H2O)] (4). Compounds 1-3 exhibit two-dimensional structures. The structures exhibit distinct vanadium building blocks: square pyramidal, mononuclear V(IV) Sites in 1, a binuclear unit of corner-sharing V(V) tetrahedra in 2, and a trinuclear unit of corner-sharing V(V) square pyramids and a V(IV) octahedron in 3. The network structures of 1 and 2 are constructed from one-dimensional oxovanadium-diphosphonate chains linked by Cu(ll) square pyramids into two-dimensional layers. In contrast, compound 3 exhibits a two-dimensional oxovanadium-organodiphosphonate network, with Cu(II) sites decorating the surfaces. Compound 4 is unique in exhibiting a framework structure, which may be described as a three-dimensional oxovanadium-organodiphosphonate substructure with {Cu(phen)}(2+) subunits covalently attached to the surface of channels running parallel to the a-axis. The magnetic properties of 1-4 are also correlated to the structural characteristics. The magnetic behavior of 2 is thus dominated by antiferromagnetic interactions. The magnetic behavior of 1 and 4 is consistent with the presence of two distinct paramagnetic metal ions, Cu(LI) and V(IV). In contrast, 3 does not exhibit ferrimagnetic behavior, but rather weak antiferromagnetic coupling. Crystal data: 1,C13H10N2CuP2VO8, monoclinic P2(1)/c, a = 9.0656(5) Angstrom, b = 8.6584(5) Angstrom, c = 20.934(1) Angstrom, beta = 97.306(1)degrees, Z = 4; 2, C26H20N4Cu2P2V2O11, triclinic P (1) over bar, a = 10.6096(5) Angstrom, b = 11.6951(5) Angstrom, c = 13.1796(6) Angstrom, a = 71.369(1)degrees, beta = 70.790(1)degrees, gamma = 80.738(1)degrees, Z = 2; 3, C30H28N4Cu2P4V3O18, triclinic P (1) over bar, a = 9.4356(6) Angstrom, b = 10.6556(6) Angstrom, c = 11.0354(7) Angstrom, alpha = 118.187(1)degrees, beta = 91.416(1)degrees, gamma = 107.821(1)degrees, Z = 1; 4, C26H20N4Cu2P4V3O18, monoclinic, P2(1)/c a = 8.3947(3) Angstrom, b = 16.8401(7) Angstrom, c = 11.9144(5) Angstrom, beta = 93.903(1)degrees, Z = 2.

  DOI：

  10.1021/ic010186i