azido(5,10,15,20-tetraphenylporphyrinato)thallium(III) | 138736-12-6

• 英文名称: azido(5,10,15,20-tetraphenylporphyrinato)thallium(III)
• CAS: 138736-12-6
• 化学式: C₄₄H₂₈N₇Tl
• 分子量: 859.136
• InChiKey: LFTJSJBNWLMSPG-YKKPBKTHSA-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

• 作为产物：
  描述：

  chloro-(5,10,15,20-tetraphenylporphyrinato)thallium(III) 在 sodium azide 、 18-crown-6 作用下， 以 二氯甲烷 、 水 为溶剂， 以85%的产率得到azido(5,10,15,20-tetraphenylporphyrinato)thallium(III)
  参考文献：
  名称：

  Pseudohalogeno-bonding of thallium(III) porphyrins, stabilisation of isocyano bonding. Crystal structure of isocyano(5,10,15,20-tetraphenylporphyrinato)thallium(III)

  摘要：

  Thallium(III) porphyrin complexes of the type [Tl(por)X] [por = 5,10,15,20-tetraphenyl- (tpp) or 2,3,7,8,12,13,17,18-octaethyl-porphyrinate(2-) (oep); X = N3, SCN or NC] have been prepared. The stereochemistry of the metal has been established by IR and H-1 NMR spectroscopy and isocyano bonding in [Tl(tpp)(NC)] confirmed by X-ray diffraction methods using Mo-K-alpha radiation. Crystals are monoclinic, space group P2(1)/n, with a = 10.061(8), b = 16.161(12), c = 21.173(15) angstrom, beta = 90.80(6)-degrees and Z = 4; R = 0.023 and R' = 0.028 for 4833 observed reflections. The thallium atom is five-co-ordinated by the four nitrogen atoms (N(p)) of the porphyrin plane and one nitrogen atom, N(25), of the isocyano group: mean Tl-N(p) 2.222(10), Tl-N(25) 2.260(3) angstrom, N(25)-Tl-N(p) 110.4(1) Tl-N(25)-C(26) 175.3(4)-degrees.

  DOI：

  10.1039/dt9910003413

文献信息

• Synthesis and characterization of halogeno- and pseudo-halogeno-thallium(III) porphyrin complexes. Variation of the co-ordination geometry as a function of the axial ligand
  作者：Mathias O. Senge、Karin Ruhlandt-Senge、Kevin J. Regli、Kevin M. Smith

  DOI：10.1039/dt9930003519

  日期：——

  compounds were investigated in detail by X-ray crystallography to obtain information on the influence of the axial ligand on the macrocycle core conformation in main-group metalloporphyrins and to establish the molecular stereochemistry of thallium(III) porphyrins with cyano, acetato, thiocyanato, bromo, iodo and azido groups as axial ligands.

  几个铊（III）卟啉络合物[铊（POR）X]与轴向配体×=梅科2，CF 3 CO 2，氯，溴，L，CN，SCN或N 3，已经获得通过从配位体交换反应相应的三氟acet（III）。所有化合物均通过1 H NMR，UV / VIS光谱和元素分析进行表征。通过X射线晶体学对14种化合物进行了详细研究，以获取有关轴向配体对主族金属卟啉中大环核构象的影响的信息，并建立th的分子立体化学（III））带有氰基，乙酰基，硫氰酸根基，溴基，碘基和叠氮基作为轴向配体的卟啉。