[((2,6-Pr(i)2H3C6)N(Me)C)2CH]Zn-Zn[((2,6-Pr(i)2H3C6)N(Me)C)2CH] | 865430-98-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [((2,6-Pr(i)2H3C6)N(Me)C)2CH]Zn-Zn[((2,6-Pr(i)2H3C6)N(Me)C)2CH]
• CAS: 865430-98-4
• 化学式: C₅₈H₈₂N₄Zn₂
• 分子量: 966.096
• InChiKey: NQOADUKUETYHHZ-RSWPIPHXSA-N

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：

  [((2,6-Pr(i)2H3C6)N(Me)C)2CH]Zn-Zn[((2,6-Pr(i)2H3C6)N(Me)C)2CH] 、 叠氮苯 以 氟苯 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  （MeZn）2（μ-η2：η2-N6Ph2）：合成金属六氮杂配合物的强大起始试剂

  摘要：

  [((LZn)-L-Me-Zn-Dipp)(2)(mu-eta(2):eta(2)-PhN6Ph)] (3), which was synthesized by reaction of (L2Zn2)-L-Me-Zn-Dipp with PhN3, reacts with two equivalents of Me2Zn to give [(MeZn)(2)(mu-eta(2):eta(2)-PhN6Ph)] (2). The reaction of 2 with pyridine gave [(MeZn)(2)(mu-eta(2):eta(2)-PhN6Ph)(Py)(2)] (4), while reactions with H-acidic ligands ((LH)-L-Me-H-Mes, (LH)-L-Me-H-Ph) occurred with elimination of methane and formation of [((RLZn)-L-Me-Zn-Mes)(2)(mu-eta(2):eta(2)-PhN6Ph)] (1) and [((LZn)-L-Me-Zn-Ph)(2)(mu-eta(2):eta(2)-PhN6Ph)] (5). The reaction of 1 with two equivalents of MeLi yielded the heterobimetallic hexazene complex [(MeZn)(mu-eta(2):eta(2)-PhN6Ph)(Li)], which was found to undergo stepwise reaction with Me2AlCl to give [MeZn((mu-eta(2):eta(2)-PhN6Ph)AlMe2] and finally [(Me2Al)(2)(mu-eta(2):eta(2)-PhN6Ph)(thf)(2)] (6). Compounds 3-6 were characterized by elemental analysis, NMR spectroscopy, and single-crystal X-ray diffraction. Quantum chemical calculations were performed in order to investigate the electronic structure of 4' and 6' in more detail and to identify the absorption bands of the hexazene unit.

  DOI：

  10.1021/acs.organomet.6b00116
• 作为产物：
  描述：

  [((2,6-Pr(i)2H3C6)N(Me)C)2CH]ZnI2Li(OEt2)2 在 potassium 作用下， 以 甲苯 为溶剂， 以47%的产率得到[((2,6-Pr(i)2H3C6)N(Me)C)2CH]Zn-Zn[((2,6-Pr(i)2H3C6)N(Me)C)2CH]
  参考文献：
  名称：

  On the Chemistry of Zn−Zn Bonds, RZn−ZnR (R = [{(2,6-Prⁱ₂C₆H₃)N(Me)C}₂CH]): Synthesis, Structure, and Computations

  摘要：

  Potassium reduction of RZn(mu-I)2Li(OEt2)2 (R = [{(2,6-Pri2C6H3)N(Me)C}2CH]) affords the second compound with a Zn-Zn bond, RZn-ZnR. The air- and moisture-sensitive title compound was characterized by 1H NMR, elemental analyses, and single-crystal X-ray diffraction. The Zn-Zn bond was determined to be 2.3586(7) A; this value is only about 0.05 A longer than the Zn-Zn bond reported for Cp*Zn-ZnCp* (Cp* = C5Me5), the first reported compound with a Zn-Zn bond. In addition, density functional theory (DFT) computations on related model RZn-ZnR compounds provide insight into the intriguing Zn-Zn bond.

  DOI：

  10.1021/ja053819r

文献信息

• A solvated zinc analogue of the calomel-dication
  作者：Hung Banh、Christian Gemel、Rüdiger W. Seidel、Roland A. Fischer

  DOI：10.1039/c4cc08850f

  日期：——

  [Zn₂]²⁺ as an analogue of the calomel dication [Hg₂]²⁺ was isolated in the form of the solvent stabilized salt [Zn₂(THF)₆]²⁺[BAr₄^F]₂⁻, for which the coordination environment is readily tuneable due to the lability of the solvent molecules.

  [Zn₂]²⁺作为氯化汞二阳离子[Hg₂]²⁺的类似物，以溶剂稳定的盐[Zn₂(THF)₆]²⁺[BAr₄^F]₂⁻的形式被分离出来，由于溶剂分子的活性，其配位环境很容易调节。