| 479671-65-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 479671-65-3
• 化学式: C₂₄H₁₆CrN₆O₄*ClO₄
• 分子量: 603.875
• InChiKey: FEMQGTOZWNBLKG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  iron perchlorate hexahydrate 、 硝基甲烷 、 在 catechol 作用下， 以 硝基甲烷 为溶剂， 以68%的产率得到catena-[Fe(perchlorate)2(Cr(N(C(O)C5H4N)2)2)] perchlorate*1.5nitromethane*2.5water
  参考文献：
  名称：

  Syntheses, structures, and magnetic properties of multinuclear complexes constructed with complexed ligands, [M(bpca)2]+ (M=Cr(III), Fe(III), Co(III); Hbpca=bis(2-pyridylcarbonyl)amine)

  摘要：

  Two trinuclear complexes [Fe(II)(ClO4)(2) {M(III)(bpca)(2)}(2)](ClO4)(2) (M=Co for 1 and Fe for 2) and three chain complexes catena[Fe(II)(ClO4)(2) {M(III)(bpca)(2)}] ClO4 (M=Co for 3, Cr for 4, and Fe for 5) were synthesized and structures for all complexes and magnetic properties for 3-5 were investigated (Hbpca=bis(2-pyridylcarbonyl)amine). All of these complexes consist of {trans Fe(II)(ClO4)(2)} unit(s) and cationic complexed ligands, {M(III)(bpca)(2)}(+), in an alternate arrangement. In 3-5, perchlorate anions in the {trans -Fe(II)(ClO4)(2)} unit are bound to a high-spin Fe(II) ion with relatively short distances in the range from 2.131(3) to 2.157(3) Angstrom. The cationic complex ligands in 1 and 2 act as a bidentate terminal ligand whereas in 3-5 they act as a bis-bidentate bridging ligand. In 3, very weak ferromagnetic interaction occurs between Fe(II) ions via the diamagnetic complexed ligand [Co(III)(bpca)(2)](+). In both 4 and 5 antiferromagnetic interactions occur between high-spin Fe(II) and Cr(III) ions in 4 and high-spin Fe(II) and low-spin Fe(III) ions in 5, respectively. Compound 5 shows ferrimagnetic behavior at low temperature. A plot of 1/chi(M) versus T above 50 K for 4 and 5 obey the Curie-Weiss law with negative Weiss constants of theta = -12.5(4) K for 4 and -15.3(6) K for 5, respectively. The temperature dependence of chi(M)T for 5 was further analyzed by the Seiden model from which the J value was estimated as -13.8(3) cm(-1) (H = -J[S-Fe(II)i + SFe(II)i+1].S-Fe(III)i). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01086-1
• 作为产物：
  描述：

  chromium(III) perchlorate hexahydrate 、 2,4,6-三(2-吡啶基)三嗪 以 水 、 丙酮 为溶剂， 以5.1%的产率得到
  参考文献：
  名称：

  Syntheses, structures, and magnetic properties of multinuclear complexes constructed with complexed ligands, [M(bpca)2]+ (M=Cr(III), Fe(III), Co(III); Hbpca=bis(2-pyridylcarbonyl)amine)

  摘要：

  Two trinuclear complexes [Fe(II)(ClO4)(2) {M(III)(bpca)(2)}(2)](ClO4)(2) (M=Co for 1 and Fe for 2) and three chain complexes catena[Fe(II)(ClO4)(2) {M(III)(bpca)(2)}] ClO4 (M=Co for 3, Cr for 4, and Fe for 5) were synthesized and structures for all complexes and magnetic properties for 3-5 were investigated (Hbpca=bis(2-pyridylcarbonyl)amine). All of these complexes consist of {trans Fe(II)(ClO4)(2)} unit(s) and cationic complexed ligands, {M(III)(bpca)(2)}(+), in an alternate arrangement. In 3-5, perchlorate anions in the {trans -Fe(II)(ClO4)(2)} unit are bound to a high-spin Fe(II) ion with relatively short distances in the range from 2.131(3) to 2.157(3) Angstrom. The cationic complex ligands in 1 and 2 act as a bidentate terminal ligand whereas in 3-5 they act as a bis-bidentate bridging ligand. In 3, very weak ferromagnetic interaction occurs between Fe(II) ions via the diamagnetic complexed ligand [Co(III)(bpca)(2)](+). In both 4 and 5 antiferromagnetic interactions occur between high-spin Fe(II) and Cr(III) ions in 4 and high-spin Fe(II) and low-spin Fe(III) ions in 5, respectively. Compound 5 shows ferrimagnetic behavior at low temperature. A plot of 1/chi(M) versus T above 50 K for 4 and 5 obey the Curie-Weiss law with negative Weiss constants of theta = -12.5(4) K for 4 and -15.3(6) K for 5, respectively. The temperature dependence of chi(M)T for 5 was further analyzed by the Seiden model from which the J value was estimated as -13.8(3) cm(-1) (H = -J[S-Fe(II)i + SFe(II)i+1].S-Fe(III)i). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01086-1