Na2{Cu(2-hydroxy-1,3-propylenebis(oxamato))}*3H2O | 105139-32-0

• 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: Na2{Cu(2-hydroxy-1,3-propylenebis(oxamato))}*3H2O
• 英文别名: Na2Cu[1-hydroxy-1,3-propylenebis(oxamato)]*3H2O
• CAS: 105139-32-0
• 化学式: C₇H₆CuN₂O₇*3H₂O*2Na
• 分子量: 393.705
• InChiKey: NWCXRWNUVKHOQS-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -6.88
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  144.95
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 Na2{Cu(2-hydroxy-1,3-propylenebis(oxamato))}*3H2O 在 二乙烯三胺 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, characterization and magnetic properties in trinuclear complexes of Cu(II) derived from 2-hydroxy-1,3-propylenebis(oxamato)

  摘要：

  DOI：

  10.1016/s0020-1693(00)80951-2
• 作为产物：
  描述：

  sodium hydroxide 、 2-hydroxy-1,3-propylenebis(oxamide) 、 copper(II) nitrate trihydrate 以 水 为溶剂， 生成 Na2{Cu(2-hydroxy-1,3-propylenebis(oxamato))}*3H2O
  参考文献：
  名称：

  Magnetic ordering of manganese(II) copper(II) bimetallic chains; design of a molecular based ferromagnet

  摘要：

  DOI：

  10.1021/ja00211a017

文献信息

• Oxamato-Bridged Trinuclear Ni^IICu^IINi^II Complexes with Irregular Spin State Structures and a Binuclear Ni^IICu^II Complex with an Unusual Supramolecular Structure:  Crystal Structure and Magnetic Properties
  作者：En-Qing Gao、Jin-Kui Tang、Dai-Zheng Liao、Zong-Hui Jiang、Shi-Ping Yan、Geng-Lin Wang

  DOI：10.1021/ic001023h

  日期：2001.6.1

  Four oxamato-bridged heterotrinuclear Ni(II)Cu(II)Ni(II) complexes of formula ([Ni(bispictn)](2)Cu(pba))(ClO(4))(2).2.5H(2)O (1), ([Ni(bispictn)](2)Cu(pbaOH))(ClO(4))(2).H(2)O (2), ([Ni(cth)](2)Cu(pba))(ClO(4))(2) (3), and ([Ni(cth)](2)Cu(opba))(ClO(4))(2).H(2)O (4) and a binuclear Ni(II)Cu(II) complex of formula [Cu(opba)Ni(cth)].CH(3)OH (5) have been synthesized and characterized by means of elemental

  式（[Ni（bispictn）]（2）Cu（pba））（ClO（4））（2）.2.5H（2）的四种恶唑桥杂三核Ni（II）Cu（II）Ni（II）配合物O（1），（[[Ni（bispictn）]（2）Cu（pbaOH））（ClO（4））（2）.H（2）O（2），（[Ni（cth）]（2）Cu （pba））（ClO（4））（2）（3）和（[[Ni（cth）]（2）Cu（opba））（ClO（4））（2）.H（2）O（4 ）和分子式[Cu（opba）Ni（cth）]。CH（3）OH（5）的双核Ni（II）Cu（II）配合物已经合成，并通过元素分析，IR，ESR和电子光谱，其中pba = 1,3-丙烯双（恶唑），pbaOH = 2-羟基-1,3-丙烯双（恶唑），opba =邻苯二甲双（恶唑），bispictn = N，N'-双（2-吡啶基甲基）-1,3-丙二胺，cth = rac-5,7,7,12
• Synthesis, Characterization, and Magnetic Properties of Self-assembled Compounds Based on Discrete Homotrinuclear Complexes of Cu(II)
  作者：Javier Tercero、Carmen Diaz、Mohamed Salah El Fallah、Joan Ribas、Xavier Solans、Miguel Angel Maestro、José Mahía

  DOI：10.1021/ic001028e

  日期：2001.6.1

  characterized: [(Cu(H(2)O)(tmen))(2)(mu-Cu(H(2)O)(opba))](2)[(ClO(4))(2)](2).2H(2)O (1), [(Cu(H(2)O)(tmen))(2) (mu-Cu(H(2)O) (Me(2)pba))](2)[(ClO(4))(2)](2) (2), and [(Cu(H(2)O)(tmen))(Cu(tmen))(mu-Cu(OHpba))](n)() ((ClO(4))(2))(n)().nH(2)O (3), where opba = o-phenylenbis(oxamato), Me(2)pba = 2,2-dimethyl-1,3-propylenbis(oxamato), OHpba = 2-hydroxy-1,3-propylenbis(oxamato), and tmen = N,N,N'N'-tetramethylethylenediamine

  合成并表征了三个新的Cu（II）超分子实体：[[（Cu（H（2）O）（tmen））（2）（mu-Cu（H（2）O）（opba））]（2） [（ClO（4））（2）]（2）.2H（2）O（1），[（Cu（H（2）O）（tmen））（2）（mu-Cu（H（2） O）（Me（2）pba））]（2）[（ClO（4））（2）]（2）（2）和[[Cu（H（2）O）（tmen））（Cu tmen））（mu-Cu（OHpba））]（n）（）（（ClO（4））（2））（n）（）。nH（2）O（3），其中opba = o-phenylenbis（ oxamato），Me（2）pba = 2,2-二甲基-1,3-丙基双（oxamato），OHpba = 2-羟基-1,3-丙基双（oxamato）和tmen = N，N，N'N' -四甲基乙二胺。解析了1、2和3的晶体结构。配合物1在单斜晶系系统中结晶，空间群C2
• Oxamato-Bridged Trinuclear Ni^IICu^IINi^II Complexes:  A New (Ni^IICu^IINi^II)₂ Hexanuclear Complex and Supramolecular Structures. Characterization and Magnetic Properties
  作者：Javier Tercero、Carmen Diaz、Joan Ribas、Miguel Maestro、José Mahía、Helen Stoeckli-Evans

  DOI：10.1021/ic026264z

  日期：2003.5.1

  Eight oxamato-bridged heterotrinuclear (NiCuNiII)-Cu-II-Ni-II complexes of formula [Ni(H2O)(dPt)](2)(mu-Cu(H2O)(opba))}(ClO4)(2) (1), [Ni(H2O)(dien)](2)(mu-Cu(pba))}(ClO4)(2).6H(2)O (2), [Ni(H2O)(MedPt)](2)(mu-Cu(OHpba))}(ClO4)(2).4H(2)O (3), [Ni(H2O)-(dien)](2)(mu-Cu(Me(2)pba))}(ClO4)(2).2.5H(2)O (4), [Ni(H2O)(dPt)](2)(mu-Cu(Me(2)pba))}(ClO4)(2).2H(2)O (5), [Ni(H2O)-(dien)](2)(mu-Cu(OHpba))}(ClO4)(2).4H(2)O (6), [Ni-2(dPt)(2)(mu-Cu(H2O)(pba))](2)(mu-N-3)(2)}Na-2(ClO4)(4).6H(2)O (7), and [Cu(H2O)(2)(dpt)Ni-2-(H2O)(dpt)(2)](mu-H(2)Me(2)pba(2-))}(ClO4)(4).3H(2)O (8) in which opba = o-phenylenbis(oxamato), pba = 1,3-propylenebis(oxamato), OHpba = 2-hydroxy-1,3-propylenebis(oxamato), Me(2)pba = 2,2-dimethyl-1,3-propylenbis(oxamato), dpt = 3,3'-diaminodipropylamine, then = 2,2'-diaminodiethylamine, and Medpt = 3,3'-diamino-N-methyldipropylamine were synthesized and characterized. The crystal structures of 1, 7, and 8 were solved. For complex 1, the trinuclear entities are linked by hydrogen bonds forming a one-dimensional system, and for complex 8, the presence of van der Waals interactions gives a one-dimensional system, too. For complex 7, the trinuclear entities are self-assembled by azido ligands, given a hexanuclear system; each of these hexanuclear entities are self-assembled through two [Na(O)(3)(H2O)(3)] octahedral-sharing one-edge entities, given a one-dimensional system. The magnetic behavior of complexes 2-7 was investigated by variable-temperature magnetic susceptibility measurements. Complexes 2-6 exhibit the minimum characteristic of this kind of polymetallic species with an irregular spin state structure. The J value through the oxamato bridge varied between -88 cm(-1) (for 6) and -111.2 cm(-1) (for 5). For complex 7, the values obtained were J(1) = -101.7 cm(-1) (through the oxamato ligand) and J(2) = -3.2 cm(-1) (through the azido ligand).
• Interchain interactions and three-dimensional magnetic ordering in Mn(II)Cu(II) chain compounds; crystal structure and metamagnetic properties of MnCu(pbaOH)(H2O)3·2H2O, with pbaOH = 2-hydroxo-1,3-propylenebis (oxamato)
  作者：Valery Baron、Béatrice Gillon、Jorunn Sletten、Corine Mathoniere、Epiphane Codjovi、Olivier Kahn

  DOI：10.1016/0020-1693(95)90047-a

  日期：1995.7

  Single crystals of the novel phase MnCu(pbaOH)(H2O)(3) . 2H(2)O (A) have been obtained; pbaOH stands for 2-hydroxy-1,3-propylenebis(oxamato). A crystallizes in the monoclinic system, space group P-21/c, with a = 21.212(4), b = 5.033(1), c = 14.246(2) Angstrom, beta = 100.72(2)degrees and Z = 4. The structure consists of oxamato-bridged Mn(II)Cu(II) bimetallic chains running along the a-axis direction. The shortest metal-metal separations between adjacent chains related by, respectively, the unit cell translation along the b-axis direction and the glide translation along the c-axis direction involve metal ions of the same type, in contrast with what was found in the previously described phase MnCu(pbaOH)(H2O)(3) (B). According to our interpretation of the three-dimensional (3-D) magnetic effects in bimetallic chain compounds, the topology of the spin carriers in A should favor a 3-D antiferromagnetic ordering, while B exhibits a 3-D ferromagnetic ordering. The study of the temperature dependence of the magnetic susceptibility as well as the temperature and field dependences of the magnetization have confirmed this prediction. The antiferromagnetic ordering occurs at 2.4 K. A magnetic field of 0.9 kOe is sufficient to overcome the weak interchain interactions, so that the compound may be described as a metamagnet built from ferrimagnetic chains.
• Van Koningsbruggen, Petra J.; Kahn, Olivier; Nakatani, Keitaro, Inorganic Chemistry, <hi>1990</hi>, vol. 29, # 18, p. 3325 - 3331
  作者：Van Koningsbruggen, Petra J.、Kahn, Olivier、Nakatani, Keitaro、Pei, Yu、Renard, Jean Pierre、Drillon, Marc、Legoll, Patrick

  DOI：——

  日期：——