((2,4-pentane-N,N'-bis(2,6-diisopropylphenyl)ketiminate)Cr)2(μ-Cl)2 | 223414-11-7

• 英文名称: ((2,4-pentane-N,N'-bis(2,6-diisopropylphenyl)ketiminate)Cr)2(μ-Cl)2
• 英文别名: [(i-Pr₂Ph)₂nacnacCr(μ-Cl)]₂；[Cr(μ-Cl)(HC(C(Me)NC6H3-i-Pr2)2)]2
• CAS: 223414-11-7
• 化学式: C₅₈H₈₂Cl₂Cr₂N₄
• 分子量: 1010.21
• InChiKey: YEPPVZYTKQQUJS-IHVPEPGGSA-L

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

• 作为反应物：
  描述：

  ((2,4-pentane-N,N'-bis(2,6-diisopropylphenyl)ketiminate)Cr)2(μ-Cl)2 以 四氢呋喃 、 正戊烷 为溶剂， 生成 ((2,4-pentane-N,N'-bis(2,6-diisopropylphenyl)ketiminate)Cr)2(μ-C6H5(μ-(2)H)
  参考文献：
  名称：

  有两个异构体的故事：稳定的氢化苯和铬的高自旋（S = 3）苯络合物。

  摘要：

  DOI：

  10.1002/anie.200701933

文献信息

• The Direct Oxidative Addition of O₂ to a Mononuclear Cr(I) Complex Is Spin Forbidden
  作者：Fang Dai、Glenn P. A. Yap、Klaus H. Theopold

  DOI：10.1021/ja408357x

  日期：2013.11.13

  Mononuclear chromium(I) alkyne complex (i-Pr2Ph)2nacnacCr(η(2)-C2(SiMe3)2) (1) reacts rapidly with dioxygen to yield chromium(V) dioxo species (i-Pr2Ph)2nacnacCr(O)2 (2). The mechanism of this oxygen cleavage has been studied experimentally and computationally. Isotope labeling studies rule out a direct four-electron oxidative addition of O2 to one chromium atom, which involves a spin-forbidden transformation

  单核铬 (I) 炔络合物 (i-Pr2Ph)2nacnacCr(η(2)-C2(SiMe3)2) (1) 与双氧快速反应生成铬 (V) 二氧化合物 (i-Pr2Ph)2nacnacCr(O)2 (2). 已经通过实验和计算研究了这种氧裂解的机制。同位素标记研究排除了 O2 与一个铬原子的直接四电子氧化加成，这涉及自旋禁止转变。相反，该反应可能通过不对称的双核铬双（μ-氧）络合物进行。后者已独立制备和结构表征。它与 O2 的反应性与所提出的机制一致。
• Inverted-Sandwich Dichromium(I) Complexes Supported by Two β-Diketiminates:  A Multielectron Reductant and Syntheses of Chromium Dioxo and Imido
  作者：Yi-Chou Tsai、Po-Yang Wang、Shin-An Chen、Jin-Ming Chen

  DOI：10.1021/ja072003i

  日期：2007.7.1

  Treatment of [Cr(mu-Cl)(Nacnac)](2) (Nacnac = HC(C(Me)NC6H3-i-Pr-2)(2)) with 2.5 equiv of KC8 in toluene allows the isolation of an inverted-sandwich toluene-bridged complex, (mu-eta(6):eta(6)-C7H8)[Cr(Nacnac)](2) (1), in 88.2% yield as a dark-purple solid. The valency of each Cr is determined to be I by X-ray absorption spectroscopy. The twelve Cr-C distances are moderately long and 1 readily undergoes an arene exchange reaction with benzene. As a result, 1 behaves as a two-Cr(Nacnac) synthetic equivalents upon reaction with appropriate substrates. For example, treatment of 1 with 2 equiv of O-2, 4 equiv of MesN(3) (Mes = 2,4,6-C6H2Me3), and Ph2N2 engenders the formation of a monomeric Cr(O)(2)(Nacnac) (2), Cr(NMes)(2)(Nacnac) (3), and (mu-NPh)(Nacnac)](2) (4), respectively. Complex 1 is therefore an 8-electron reductant.