N,N-dimethylethylenediammonium pentachloroantimonate | 366412-91-1

• 英文名称: N,N-dimethylethylenediammonium pentachloroantimonate
• 英文别名: [N,N-dimethylethylenediammonium]SbCl5；antimony(3+);2-azaniumylethyl(dimethyl)azanium;pentachloride
• CAS: 366412-91-1
• 化学式: C₄H₁₄N₂*Cl₅Sb
• 分子量: 389.184
• InChiKey: SOHGSQCKCGMTEM-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -17.99
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三氯化锑 、 N,N-二甲基乙二胺 以 盐酸 为溶剂， 生成 N,N-dimethylethylenediammonium pentachloroantimonate
  参考文献：
  名称：

  Dependence of the Distortion of the Square Pyramids in N, N-Dimethylethylenediammonium Pentachloroantimonate(III) on the Geometry of Hydrogen Bonds

  摘要：

  摘要 N,N-二甲基乙二铵五氯锑酸盐(III)在空间群 P21/c (a = 12.460(2), b = 10.252(2), c = 10.330(2) Å, β = 97.75(3)°, V = 1307.5(4) Å3, Z = 4, dc = 1.997, dm = 1.99(2) g/cm3) 的单斜体系中结晶。[(CH3)2NH(CH2)2NH3][SbCl5]的晶体结构由孤立的[SbCl5]2-阴离子和[(CH3)2NH(CH2)2NH3]2+阳离子组成。SbCl5]2- 阴离子具有扭曲的方形金字塔几何结构，呈现出一个短轴向和四个长赤道 Sb-Cl 键。方形金字塔一个紧挨一个，平行于 c 轴。阴离子亚晶格之间的空隙由[(CH3)2NH(CH2)2NH3]2+阳离子填充。在[SbCl5]2-方形金字塔中，五个非等价的 Sb-Cl 键距离存在显著差异。赤道 Sb-Cl 键的距离范围为 2.427(2)-2.968(2) Å，而轴向 Sb-Cl 键的距离为 2.384(1) Å。对结构中[SbCl5]2- 金字塔之间分子间相互作用的分析反映在 Sb-Cl 键长度与非相互作用金字塔特征值的变化上，从而得出结论：Sb 的范德华半径比鲍林估计的要小得多。

  DOI：

  10.1515/znb-2001-0608

文献信息

• Synthesis of chloroantimonates(III) with selected organic cations. X-ray studies of phase transition in ferroelectric tris(trimethylammonium) nonachlorodiantimonate(III) at 125K
  作者：Maciej Bujak、Jacek Zaleski

  DOI：10.1016/j.jssc.2004.05.036

  日期：2004.9

  formula, crystal structure and physicochemical properties of chloroantimonates(III) with different organic cations was studied. It was proved, that the compounds show preferences in crystallization of one product. The changes of the molar ratio of substrates lead to the corresponding changes of these components in crystallized products. The structure of ferroelectric chloroantimonate(III), [(CH3)3NH]3[Sb2Cl9]

  研究了反应物摩尔比对不同有机阳离子型氯锑酸盐（III）分子式，晶体结构和理化性质的影响。已经证明，该化合物在一种产物的结晶中显示出偏爱。底物摩尔比的变化导致结晶产物中这些组分的相应变化。在165和95 K下确定铁电氯锑酸（III）[[CH 3）3 NH] 3 [Sb 2 Cl 9 ]的结构。它在单斜空间群Pc中结晶：a = 9.9612（11），b = 9.0714（8），c = 15.1807（14）Å，β= 90.086（8）°，R 1 = 0.0202，w R 2 = 0.0405和a = 9.9138（10），b = 9.0783（7），c = 15.1299（14）Å，β = 90.026（8）°，R 1＝0.0163，在165K和95K下，w R 2＝ 0.0356。在这两个温度下，晶体都是由聚阴离子层和三甲基铵阳离子构成的。它们通过氢键系统结合在一起。随着温度的降低，有机阳离子的分子运动逐渐冻结。在165
• High-Pressure- and Low-Temperature-Induced Changes in [(CH₃)₂NH(CH₂)₂NH₃][SbCl₅]
  作者：Maciej Bujak、Ross J. Angel

  DOI：10.1021/jp060652v

  日期：2006.6.1

  The structure of N,N-dimethylethylenediammonium pentachloroantimonate(III), [(CH3)(2)NH(CH2)(2)NH3][SbCl5], NNDP, was investigated at 100 and 15 K at ambient pressure, as well as at pressures up to 4.00 GPa at room temperature in the diamond-anvil cell. The stable structure at low temperatures and low pressures consists of isolated [SbCl5](2-) anions and [(CH3)(2)NH(CH2)(2)NH3](2+) cations. The inorganic anions have a distorted square pyramidal geometry. They are arranged in linear chains parallel to the c axis. In contrast to the low-temperature studies, where no phase transition was detected, pressure induces a P2(1)/c --> P2(1)/n phase transition between 0.55 and 1.00 GPa, accompanied by a doubling of the a unit-cell parameter. This solid-solid transition results from changes in the electron configuration of the Sb-III atom and formation of the Sb-Cl bridging bonds between inorganic polyhedra to form, at similar to 1.0 GPa, isolated [Sb2Cl10](4-) units consisting of [SbCl6](3-) octahedra and [SbCl5](2-) square pyramids connected by a common corner. The intermolecular distances continuously decrease with further increase in pressure, and at similar to 3.1 GPa, zigzag [SbCl5}(n)](2n-) chains containing corner-sharing [SbCl6](3-) octahedra are formed. The unit-cell volume of NNDP decreases by 18.15% between room pressure and 4.00 GPa. The linear distortions of the [SbCl5](2-) and [SbCl6](3-) polyhedra decrease with increasing pressure and decreasing temperature and indicate a reduction in the stereochemical activity of the lone electron pair on the Sb-III atom.