closo-1-Ni(TMEDA)-2,4-(SiMe3)2-2,4-C2B4H4 | 152780-33-1

• 英文名称: closo-1-Ni(TMEDA)-2,4-(SiMe3)2-2,4-C2B4H4
• 英文别名: closo-1-(N,N,N',N'-tetramethylethylenediamine)-1-Ni-2,4-(SiMe3)2-2,4-C2B4H4；1-(N,N,N',N'-tetramethylethylenediamine)-closo-2,4-(SiMe3)2-1,2,4-NiC2B4H4；1-(TMEDA)-closo-2,4-(SiMe3)2-1,2,4-NiC2B4H4
• CAS: 152780-33-1
• 化学式: C₁₄H₃₈B₄N₂NiSi₂
• 分子量: 392.574
• InChiKey: YEBMWWSKKSQHFS-PZNOMTHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为产物：
  描述：

  closo-exo-5,6-[(μ-H)2Li(N,N,N',N'-tetramethylethylenediamine)]-1-Li(N,N,N',N'-tetramethylethylenediamine)-2,4-(SiMe3)2-2,4-C2B4H4 、 nickel dichloride 以 苯 为溶剂， 以59%的产率得到closo-1-Ni(TMEDA)-2,4-(SiMe3)2-2,4-C2B4H4
  参考文献：
  名称：

  C-三甲基甲硅烷基取代的杂碳硼烷的化学。31.碳硼烷配体系统反应途径的新见解：铁，钴和镍的夹心和半夹心金属碳硼烷的合成，结构，光谱和电化学研究

  摘要：

  一系列全和半夹心metallacarboranes由来自的MC1的反应合成2（M = CO，Fe）和闭合型外-Y ，X -Li（L）-1-栗（L）-2，ñ - （SiMe 3）2 -2，n -C 2 B 4 H 4（y = 4，x = 5，L = 2 THF，n = 3（1）; y = 4，x = 5，L = TMEDA，n＝ 3（2）；y＝ 5，x＝ 6，L ＝ 2THF，n＝ 4（3）；n＝ 4（3）。y = 5，x = 6，L = TMEDA，n = 4（4））在苯中的摩尔比为1：1。金属碳硼烷络合物exo- 4,4'，5,5'-Fe（TMEDA）-commo -1,1'-Fe [2,3-（SiMe 3）2 -2,3-C 2 B 4 H 4 ] 2（5），M + [ com -1,1'-Co {2,3-（SiMe 3）2-（2,3-C 2 B 4 H 4）} 2 ] -（M = CoCl（6a）

  DOI：

  10.1021/om048982u

文献信息

• Evolution of C₂B₄ Carborane Chemistry:  from Early Years to the Present
  作者：Narayan S. Hosmane、John A. Maguire

  DOI：10.1021/om0490031

  日期：2005.3.1

  review of the chemistry of polyhedral cluster complexes in which s-, p-, d- and f-block metals are incorporated mainly into Ccage-trimethylsilyl-substituted C2B4 carborane cages is presented. While the main thrust of this review is on the results obtained in authors' laboratories, comparisons are made to similar systems and to those involving both large- and small-cage carboranes. In this way we hope to

  多面体簇配合物的化学性质，其中S的审查- ，对- ， D-和f -区金属掺入主要成Ç笼-甲基甲硅烷基取代的C 2乙4碳硼烷笼被呈现。尽管本综述的主要重点在于作者实验室的研究结果，但将其与类似系统以及涉及大笼型和小笼型碳硼烷的系统进行了比较。我们希望以此方式证明小C 2 B 4的独特化学性质-在过去40年中出现的笼式系统。但是，如果不大量参考更大，更稳定的11和12顶点笼子，就无法呈现这些系统化学的全貌，后者在许多方面都比它们的堂兄小得多。当前许多研究的焦点都集中在系统化金属碳甲硼烷的化学上，目的是促进它们作为电子，陶瓷和/或催化材料的使用。但是，这些努力是基于我们对确定这些簇复合物的结构和性质所起作用的基本相互作用的了解。这篇综述试图对小笼型异碳硼烷化学进行概述。
• Chemistry of C-trimethylsilyl-substituted heterocarboranes. 12. Synthetic, structural, and bonding studies on the "carbons apart" closo- and commo-nickelacarboranes derived from "carbons adjacent" closo-carborane 1,2-(SiMe3)2-1,2-C2B4H4
  作者：Hongming Zhang、Ying Wang、Anil K. Saxena、Aderemi R. Oki、John A. Maguire、Narayan S. Hosmane

  DOI：10.1021/om00034a028

  日期：1993.10

  The reaction of ''carbons adjacent'' closo-1,2-(SiMe3)2-1,2-C2B4H4 With lithium naphthalide in THF produces the ''carbons apart- dilithium compound closo-exo-5,6-[(mu-H)2Li(THF)](mu-THF)-1-Li-2,4-(SiMe3)2-2,4-C2B4H4 (I), that exists as discrete dimers in the solid state. However, when the reaction was carried out in TMEDA, the monomeric carbons apart dilithiacarborane closo-exo-5,6-[(mu-H)2Li(TMEDA)]-1-Li(TMEDA)-2,4-(SiMe3)2-2,4-C2B4H4 (II) was isolated in 90% yield. The H-1, Li-7, B-11, and C-13 NMR spectra and IR spectra of I and II are all consistent with their molecular formulas. The reaction of the THF-solvated dilithium compound, I, with anhydrous NiCl2 in a 1:1 molar ratio, in a 1:1 mixture of n-hexane and THF, produced the carbons apart nickel sandwich commo-1,1'-Ni[2,4-(SiMe3)2-2,4-C2B4H4]2 (III), along with elemental nickel (Ni0). On the other hand, a TMEDA-complexed species, closo-1-Ni(TMEDA)-2,4-(SiMe3)2-2,4-C2B4H4 (IV), was isolated from the analogous reaction of NiCl2 with the TMEDA-solvated dilithium compound, II. The nickelacarboranes were also characterized by H-1, B-11, and C-13 NMR spectra, IR and mass spectra, and elemental analyses. The molecular structures of I-IV were determined by X-ray diffraction. The closo-nickelacarborane (IV), a formal Ni(II) half-sandwich, was also produced in a redox reaction involving commo-Ni(IV) sandwich III in wet TMEDA at room temperature. While the closo-dilithium compounds, I and II, crystallized in the monoclinic space group P2(1)/n, the commo-nickelacarborane (III) and closo-nickelacarborane (IV) crystallized in orthorhombic and monoclinic space groups Pbcn and P2(1)/n, respectively, with a = 11.353(5), 9.828(4), 12.409(3), and 8.310 (2) angstrom, b = 17.490(7), 22.267(7), 18.436(5), and 19.657(4) angstrom, c = 13.273(6), 15.064(5), 12.976(3), and 14.655(3) angstrom, beta = 104.33(3), 95.87(3), 90.00, and 94.14(2)degrees, V = 2551(2), 3279(2), 2969(1), and 2387.6(9) angstrom3, and Z = 2, 4, 4, and 4. The final refinements of I-IV converged at R = 0.076, 0.060, 0.033, and 0.041 and R(w) = 0.095, 0.064, 0.040, and 0.052, respectively.