antimony(III) bromide * 1,10-phenanthroline | 1122640-28-1

• 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: antimony(III) bromide * 1,10-phenanthroline
• CAS: 1122640-28-1；69108-63-0
• 化学式: Br₃Sb*C₁₂H₈N₂
• 分子量: 541.671
• InChiKey: OGWWTHKPSDRBCU-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 三溴化锑 以 二氯甲烷 为溶剂， 生成 antimony(III) bromide * 1,10-phenanthroline
  参考文献：
  名称：

  锑121（Mössbauer）和红外光谱研究卤化锑（III）的1,10-菲咯啉加合物

  摘要：

  摘要描述了1,10-菲咯啉与SbX 3（X = F，Cl，Br）和PhSbI 2的单加合物的合成。这些化合物和2,2'-联吡啶与PhSbI 2之间的1：1加合物已主要通过红外和莫斯鲍尔光谱技术表征为固态。三卤化锑复合物的结构似乎是基于卤素桥联的聚合物，其中孤电子对的立体化学活性随卤素而变化，孤对电子的最高p-特征是通过三氟化物加合物观察到的。MoSsbauer的PhSbI 2配合物结果表明ψ-八面体立体化学，其中孤对和Ph基处于反式位置。

  DOI：

  10.1016/s0020-1693(00)90835-1

文献信息

• Synthesis, characterizations and crystal structures of antimony(III) complexes with nitrogen-containing ligands
  作者：Han Dong Yin、Jun Zhai

  DOI：10.1016/j.ica.2008.04.012

  日期：2009.1

  Six antimony adducts with N-donor neutral ligands (1,10-phenanthroline, 4,4'-bipyridine) have been obtained following the reaction of antimony halides with phenanthroline and 4,4'-bipyridine. By changing the solvent and stoichiometry, we obtained six different complexes, Sb(phen)Cl(3) (1), Sb(phen)Br(3) (2), Sb(2)(phen)(4)Br(8)(3) and Sb(bpy)Cl(3)(4), Sb(bpy)(2)Cl(3) (5), Sb(bpyH center dot bpyH(2))Br(6) (6) (where phen = 1,10-phenanthroline, bpy = 4,4'-bipyridine). All the complexes have been characterized via elemental analysis, FT-IR and NMR ((1)H, (13)C) spectroscopy. The crystal structures of complexes 2, 3 and 6 have been determined by X-ray single crystal diffraction.The structural analysis show that the coordination sphere around antimony atom in complex 2 is a distorted square pyramid, coordinated by three bromine atoms and two nitrogen atoms from phen. In complex 3, the central antimony atom is six-coordinated through four bromine atoms and two nitrogen atoms forming a distorted octahedral geometry. Besides that, there are also uncoordinated 1,10-phenanthroline bonded by hydrogen bonds and pi-pi stacking interactions, which is rarely observed in previous reports. The crystal structure of complex 6 consists of bpyH center dot bpyH(2) trications and hexabromoantimonate trianions. The antimony atom in the anion has a distorted octahedral environment. Additionally, all complexes present a 3D framework built up by N-H center dot center dot center dot Br, C-H center dot center dot center dot Br and C-H center dot center dot center dot Cl weak hydrogen bonds interactions. (C) 2008 Elsevier B.V. All rights reserved.