yttrium triiodide tetrakis(isopropanol) | 928309-18-6

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: yttrium triiodide tetrakis(isopropanol)
• 英文别名: YI3(i-PrOH)4
• CAS: 928309-18-6
• 化学式: C₁₂H₃₂I₃O₄Y
• 分子量: 710.003
• InChiKey: XIKQQWCZXLNFII-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  N,N-二甲基乙醇胺 、 yttrium triiodide tetrakis(isopropanol) 以 甲苯 为溶剂， 以99%的产率得到YI3(N,N-dimethylaminoethanol)4
  参考文献：
  名称：

  Activation of dioxygen by an yttrium iodide adduct: First example of an yttrium superoxide displaying also a rare 1,1-bridging mode of the superoxide ligand

  摘要：

  YI3(Pr'OH)(4) (1), obtained from the reaction between yttriurn chips and iodine in isopropanol, reacts with dioxygen to give a superoxide bridged dinuclear ionic species [Y2I2(mu(2),mu(0):eta(I)-O-2)(2)(Pr'OH)(8)][I](2) (2). The ligand exchange reaction of 1 with N,N-dimethylamino-ethanol (drnaeH) afforded YI3(dmaeH)(4) (3). Complex 2 is the first structurally characterised yttrium superoxide derivative. In addition, it displays a rare mu(2),mu(0):eta(I) bonding mode of O-2, unknown in transition metal chemistry. 2 is also the first example of a superoxide derived from a metal iodide. The DFT calculations on a model compound, where the Pr'OH molecules of 2 are replaced by water molecules, i.e. for [Y2I2(mu(2), mu(0):eta(I)-O-2)(2)(H2O)(8)][I](2) (2a), show that this molecule is stable in its high spin triplet state with the SOMO-LUMO gap being 3.7 eV. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.07.020
• 作为产物：
  描述：

  氢化钇 、 碘 、 异丙醇 以 异丙醇 为溶剂， 以55%的产率得到yttrium triiodide tetrakis(isopropanol)
  参考文献：
  名称：

  Activation of dioxygen by an yttrium iodide adduct: First example of an yttrium superoxide displaying also a rare 1,1-bridging mode of the superoxide ligand

  摘要：

  YI3(Pr'OH)(4) (1), obtained from the reaction between yttriurn chips and iodine in isopropanol, reacts with dioxygen to give a superoxide bridged dinuclear ionic species [Y2I2(mu(2),mu(0):eta(I)-O-2)(2)(Pr'OH)(8)][I](2) (2). The ligand exchange reaction of 1 with N,N-dimethylamino-ethanol (drnaeH) afforded YI3(dmaeH)(4) (3). Complex 2 is the first structurally characterised yttrium superoxide derivative. In addition, it displays a rare mu(2),mu(0):eta(I) bonding mode of O-2, unknown in transition metal chemistry. 2 is also the first example of a superoxide derived from a metal iodide. The DFT calculations on a model compound, where the Pr'OH molecules of 2 are replaced by water molecules, i.e. for [Y2I2(mu(2), mu(0):eta(I)-O-2)(2)(H2O)(8)][I](2) (2a), show that this molecule is stable in its high spin triplet state with the SOMO-LUMO gap being 3.7 eV. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.07.020

文献信息

• Solid- and Solution Phase Transformations in Novel Hybrid Iodoplumbate Derivatives Templated by Solvated Yttrium Complexes
  作者：Shashank Mishra、Erwann Jeanneau、Stéphane Daniele、Gilles Ledoux、Prakash N. Swamy

  DOI：10.1021/ic8010376

  日期：2008.10.20

  [Y(DMF)8][Pb3(mu-I)9](1infinity) x DMF (1), or discrete pentanuclear iodoplumbates, [Y(DMSO)8]2[(DMSO)2Pb5(mu3-I)2(mu-I)8I6] (2a). The complex 2a and a closely related [Y(DMSO)8][Y(DMSO)7(DMF)][(DMSO)2Pb5(mu3-I)2(mu-I)8I6] (2b) were obtained in good yield by solution phase transformation of 1 in DMSO under slight different conditions. Derivatives 1 and 2 also undergo unique solid-state transformation in

  通过搅拌DMF / DMSO中的YI3（Pr（i）OH）4原位制备的溶剂化碘化钇前体[Y（L）8] I3 [L =二甲基甲酰胺（DMF）或二甲基亚砜（DMSO）] PbI2在NH4I的存在下产生基于一维（1D）直链，[Y（DMF）8] [Pb3（mu-I）9]（1infinity）x DMF（1）的新型杂化衍生物，或离散的五核碘铅酸盐，[Y（DMSO）8] 2 [（DMSO）2Pb5（mu3-I）2（mu-I）8I6]（2a）。以高收率获得了络合物2a和密切相关的[Y（DMSO）8] [Y（DMSO）7（DMF）] [（DMSO）2Pb5（mu3-I）2（mu-I）8I6]（2b）通过在稍微不同的条件下在DMSO中1进行固溶相转化。衍生物1和2在受限的对映体环境中也经历独特的固态转变，从而生成基于之字形碘铅链的1D聚合物。1的晶体通过交换反应转变为[Y（DMF）6（H2O）2] [Pb3（