cis-bis(3,3'-bipyridazine)bis(thiocyanato)iron(II) | 133873-81-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: cis-bis(3,3'-bipyridazine)bis(thiocyanato)iron(II)
• CAS: 133873-81-1
• 化学式: C₁₈H₁₂FeN₁₀S₂
• 分子量: 488.339
• InChiKey: RDAVQCUWZBYPDR-UHFFFAOYSA-N

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：

  cis-bis(3,3'-bipyridazine)bis(thiocyanato)iron(II) 以 not given 为溶剂， 生成 iron(II)tris(3,3'-bipyridazine)(Fe(NCS)4)
  参考文献：
  名称：

  Coordination of the strong field di-imine 3,3′-bipyridazine. Structural, magnetic and spectroscopic properties of the Fe(II), Co(II) and Ni(II) complexes

  摘要：

  The di-imine system 3,3'-bipyridazine (L) generates a particularly strong ligand field and this is revealed in the low-spin nature of [FeL2(NCS)2] and of salts of [FeL3]2+, the appearance of a double reversible quartet transition in [CoL3]2+, and the high energy (13 200 cm-1) of the 3A2g --> 3T2g transition in the electronic spectrum of [NiL3]2+. In attempts to prepare bis(ligand) complexes the mixed low-spin cationic, high-spin anionic complexes [FeL3][FeCl4], [FeL3][Fe(NCS)4] and [FeL3][FeCl4]2 were isolated. These were characterised by magnetic and Mossbauer spectral measurements. The structures of both [FeL3][ClO4]2 and [NiL3][ClO4]2 reveal unusually short Fe-N (1.927(3) angstrom) and Ni-N (2.060 angstrom) distances and these, and the high field strength, are believed to result in part from the absence of ortho-hydrogen atoms in the ligand molecules which cause considerable inter-ligand repulsion in complexes of the related di-imine, 2,2'-bipyridine. [FeL3][ClO4]2 crystallises in space group P3BARc1 (Z = 2) with cell parameters a = 10.281(2), b = 10.281(2), c = 15.863(4) angstrom. A total of 430 reflections with I(o) > 3-sigma(I(o)) was observed and a final value of R = 0.045 was obtained. [NiL3][ClO4]2 crystallizes in space group P321 (Z = 1) with cell parameters a = 10.225(3), b = 10.225(3), c = 8.049(3) angstrom. Stacking faults and twinning create an apparent P6BAR2c diffraction symmetry. A total of 266 reflections with I(o) > 3-sigma(I(o)) was observed and a final value of R = 0.042 was obtained.

  DOI：

  10.1016/s0020-1693(00)86776-6
• 作为产物：
  描述：

  3,3-联吡嗪 、 iron(II) chloride tetrahydrate 、 potassium thioacyanate 以 甲醇 为溶剂， 生成 cis-bis(3,3'-bipyridazine)bis(thiocyanato)iron(II)
  参考文献：
  名称：

  Coordination of the strong field di-imine 3,3′-bipyridazine. Structural, magnetic and spectroscopic properties of the Fe(II), Co(II) and Ni(II) complexes

  摘要：

  The di-imine system 3,3'-bipyridazine (L) generates a particularly strong ligand field and this is revealed in the low-spin nature of [FeL2(NCS)2] and of salts of [FeL3]2+, the appearance of a double reversible quartet transition in [CoL3]2+, and the high energy (13 200 cm-1) of the 3A2g --> 3T2g transition in the electronic spectrum of [NiL3]2+. In attempts to prepare bis(ligand) complexes the mixed low-spin cationic, high-spin anionic complexes [FeL3][FeCl4], [FeL3][Fe(NCS)4] and [FeL3][FeCl4]2 were isolated. These were characterised by magnetic and Mossbauer spectral measurements. The structures of both [FeL3][ClO4]2 and [NiL3][ClO4]2 reveal unusually short Fe-N (1.927(3) angstrom) and Ni-N (2.060 angstrom) distances and these, and the high field strength, are believed to result in part from the absence of ortho-hydrogen atoms in the ligand molecules which cause considerable inter-ligand repulsion in complexes of the related di-imine, 2,2'-bipyridine. [FeL3][ClO4]2 crystallises in space group P3BARc1 (Z = 2) with cell parameters a = 10.281(2), b = 10.281(2), c = 15.863(4) angstrom. A total of 430 reflections with I(o) > 3-sigma(I(o)) was observed and a final value of R = 0.045 was obtained. [NiL3][ClO4]2 crystallizes in space group P321 (Z = 1) with cell parameters a = 10.225(3), b = 10.225(3), c = 8.049(3) angstrom. Stacking faults and twinning create an apparent P6BAR2c diffraction symmetry. A total of 266 reflections with I(o) > 3-sigma(I(o)) was observed and a final value of R = 0.042 was obtained.

  DOI：

  10.1016/s0020-1693(00)86776-6