hexaaquadichloroyttrium(III) chloride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: hexaaquadichloroyttrium(III) chloride
• 英文别名: [YCl₂(H₂O)₆]Cl；[Y(chloride)2(water)6]Cl；Yttrium chloride hexahydrate；trichloroyttrium;hexahydrate
• 化学式: Cl*Cl₂H₁₂O₆Y
• 分子量: 303.357
• InChiKey: IINACGXCEZNYTF-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -13.94
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  6
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  hexaaquadichloroyttrium(III) chloride 以 neat (no solvent, solid phase) 为溶剂， 以99%的产率得到氯化钇
  参考文献：
  名称：

  甲醇取代的卤化镧的结构表征

  摘要：

  使用甲醇（MeOH）进行了卤化镧[LaX（3）]衍生物的醇溶化作为降低LaBr（3）闪烁体生产温度的一种手段的首次研究。最初，通过在室温下简单地将1溶解在MeOH中，研究了{[La（micro-Br）（H（2）O）（7）]（Br）（2）}（2）（1）的脱水。分离出混合的溶剂化物单体[La（H（2）O）（7）（MeOH）（2）]（Br）（3）（2）化合物，其中La金属中心通过与两种其他的MeOH溶剂，但必须将内球Br转移到外球。为了尝试将1的甲醇中的反应混合物在CaH（2）上干燥，分离了[Ca（MeOH）（6）]（Br）（2）（3）的晶体。在回流温度下将化合物1溶解在MeOH中，导致分离出异常结构，该结构被确定为盐衍生物{[LaBr（2.75）* 5.25（MeOH）]（+ 0.25）[LaBr（3.25）* 4.75（MeOH）]（- 0.25）}（4）。最终，通过将干燥的LaBr（3）溶

  DOI：

  10.1016/j.poly.2010.02.027
• 作为产物：
  描述：

  yttrium chloride hexahydrate 在 MeLi 作用下， 以 四氢呋喃 为溶剂， 生成 hexaaquadichloroyttrium(III) chloride
  参考文献：
  名称：

  Examination of the LnCl3/RLi alkylation system for organic synthesis using yttrium as a probe including the X-ray crystal structure of Li2Y8Cl18O4(THF)12

  摘要：

  The LnCl(3)/RLi reagent system commonly used with Ln = Ce for organic alkylation reactions has been studied with Ln = Y to make Y-89 nucleus (I = 1/2) in NMR analyses. The 'YCl3' obtained by the current literature methods of dehydrating LnCl(3)(H2O)(x) reagents in the LnCl(3)/RLi system contains water by elemental analysis, by reactivity with LiCH2SiMe3 and LiMe, and by X-ray analysis of recrystallized material which proved to be [YCl2(H2O)(6)]Cl. The complexity of the intermediates that may be present in these systems when reagents are not rigorously purified is shown by the structure of Li2Y8Cl18O4(THF)(12), which was isolated from a YCl3/LiCH2SiMe3 reaction. The complex contains a tetracapped tetrahedron of yttrium atoms with two outlying lithium atoms all of which are connected by four mu(4)-O, fourteen mu(2)-Cl, and two mu(3)-Cl atoms. Each lithium and each capping yttrium are ligated by two THF groups. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00357-4

文献信息

• Interaction of 18-crown-6 with yttrium chloride: inner-sphere transformations of complexes under conditions of solid-state thermolysis
  作者：Zh. V. Dobrokhotova、S. P. Petrosyants、A. B. Ilyukhin、V. M. Novotortsev

  DOI：10.1007/s11172-012-0287-z

  日期：2012.11

  The reactions of [YCl2(H2O)6]Cl with 18-crown-6 in aliphatic alcohol solutions afford the complexes [Y(H2O)3(18-crown-6)]Cl3·1.25H2O (1) and [Y(H2O)8]Cl3·(18-crown-6)·4H2O (2), in which the inner coordination sphere of yttrium consists of nine and eight oxygen atoms, respectively. The inner-sphere transformations of complexes 1 and 2 under conditions of solid-state thermolysis were investigated. After the removal of coordinated water molecules from compound 1, the complex undergoes a structural transformation at temperatures above 180 °C, resulting in that two chloride anions enter into the coordination sphere of yttrium. For compound 2, a double exothermic effect is observed in the temperature range of 160–300 °C due to the formation of a certain new structural species containing chloride ions and 18-crown-6 in the inner coordination sphere.

  [YCl2(H2O)6]Cl与18-冠-6在脂肪醇溶液中的反应生成[Y(H2O)3(18-冠-6)]Cl3·1.25H2O (1)和[Y(H2O)8]Cl3·(18-冠-6)·4H2O (2)的络合物，其中钇的内配位层分别由九个和八个氧原子组成。研究人员研究了在固态热解条件下络合物1和2的内层转变。从化合物1中除去配位水分子后，络合物在180℃以上的温度下发生结构转变，导致两个氯阴离子进入钇的配位层。对于化合物2，在160-300℃的温度范围内观察到双重放热效应，这是由于在内配位层中形成了含有氯离子和18-冠-6的某种新结构。
• Bell, A. M. T.; Smith, A. J., Acta Crystallographica, Section C: Crystal Structure Communications, <hi>1990</hi>, vol. 46, p. 960 - 962
  作者：Bell, A. M. T.、Smith, A. J.

  DOI：——

  日期：——
• Structural characterization of methanol substituted lanthanum halides
  作者：Timothy J. Boyle、Leigh Anna M. Ottley、Todd M. Alam、Mark A. Rodriguez、Pin Yang、Sarah K. Mcintyre

  DOI：10.1016/j.poly.2010.02.027

  日期：2010.5

  25(MeOH)](+0.25) [LaBr(3.25)*4.75(MeOH)](-0.25)} (4). The fully substituted species was ultimately isolated through the dissolution of dried LaBr(3) in MeOH forming the 8-coordinated [LaBr(3)(MeOH)(5)] (5) complex. It was determined that the concentration of the crystallization solution directed the structure isolated (4 concentrated; 5 dilute) The other LaX(3) derivatives were isolated as [(MeOH)(4)(Cl

  使用甲醇（MeOH）进行了卤化镧[LaX（3）]衍生物的醇溶化作为降低LaBr（3）闪烁体生产温度的一种手段的首次研究。最初，通过在室温下简单地将1溶解在MeOH中，研究了[La（micro-Br）（H（2）O）（7）]（Br）（2）}（2）（1）的脱水。分离出混合的溶剂化物单体[La（H（2）O）（7）（MeOH）（2）]（Br）（3）（2）化合物，其中La金属中心通过与两种其他的MeOH溶剂，但必须将内球Br转移到外球。为了尝试将1的甲醇中的反应混合物在CaH（2）上干燥，分离了[Ca（MeOH）（6）]（Br）（2）（3）的晶体。在回流温度下将化合物1溶解在MeOH中，导致分离出异常结构，该结构被确定为盐衍生物[LaBr（2.75）* 5.25（MeOH）]（+ 0.25）[LaBr（3.25）* 4.75（MeOH）]（- 0.25）}（4）。最终，通过将干燥的LaBr（3）溶
• Examination of the LnCl3/RLi alkylation system for organic synthesis using yttrium as a probe including the X-ray crystal structure of Li2Y8Cl18O4(THF)12
  作者：William J. Evans、Mohammad A. Ansari、Jay D. Feldman、Robert J. Doedens、Joseph W. Ziller

  DOI：10.1016/s0022-328x(97)00357-4

  日期：1997.1

  The LnCl(3)/RLi reagent system commonly used with Ln = Ce for organic alkylation reactions has been studied with Ln = Y to make Y-89 nucleus (I = 1/2) in NMR analyses. The 'YCl3' obtained by the current literature methods of dehydrating LnCl(3)(H2O)(x) reagents in the LnCl(3)/RLi system contains water by elemental analysis, by reactivity with LiCH2SiMe3 and LiMe, and by X-ray analysis of recrystallized material which proved to be [YCl2(H2O)(6)]Cl. The complexity of the intermediates that may be present in these systems when reagents are not rigorously purified is shown by the structure of Li2Y8Cl18O4(THF)(12), which was isolated from a YCl3/LiCH2SiMe3 reaction. The complex contains a tetracapped tetrahedron of yttrium atoms with two outlying lithium atoms all of which are connected by four mu(4)-O, fourteen mu(2)-Cl, and two mu(3)-Cl atoms. Each lithium and each capping yttrium are ligated by two THF groups. (C) 1997 Elsevier Science S.A.