[(N,N,N',N'-tetramethylethylenediamine)NbCl3]2 | 198974-57-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [(N,N,N',N'-tetramethylethylenediamine)NbCl3]2
• 英文别名: N,N,N',N'-tetramethylethane-1,2-diamine;trichloroniobium
• CAS: 198974-57-1
• 化学式: C₁₂H₃₂Cl₆N₄Nb₂
• 分子量: 630.944
• InChiKey: JZJBFMDFDSQCGO-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(N,N,N',N'-tetramethylethylenediamine)NbCl3]2 、 ((adamantyl)(3,5-Me₂Ph)N)Li 以 四氢呋喃 为溶剂， 生成 [((3,5-Me2Ph)(adamantyl)N)Nb(3,5-Me2Ph)]2(μ-N-adamantyl)2*ether
  参考文献：
  名称：

  The reduction of Nb2Cl6(tmeda)2 by R2NLi. Formation of a diamagnetic niobium(II) cluster with short Nb–Nb triple bond and amide C–N bond cleavage

  摘要：

  用二异丙基酰胺锂或正丁基锂还原三价 Nb2Cl6(tmeda)2，产生了一种新型 NbII 簇，它能对酰胺 CâN 键进行氧化加成。

  DOI：

  10.1039/a703280c

文献信息

• Molecular Rearrangements of a Low-Valent Niobium Amide:  Ligand C−H Bond Oxidative Addition and Reductive Elimination
  作者：Maryam Tayebani、Khalil Feghali、Sandro Gambarotta、Glenn Yap

  DOI：10.1021/om980302y

  日期：1998.9.1

  elimination to restore the C−H bond to form the neutral, dinuclear, and diamagnetic (Ph2N)2Nb[μ-NPh(η6-C6H5)]2Nb}·ether (3) containing the two metals in formal oxidation states of +4 and 0. Ab initio and EHMO calculations have been carried out in an attempt to clarify the nature of the Nb−Nb interaction in the three complexes.

  双核和二价（TMEDA）2 Nb 2 Cl 5 Li（TMEDA）与Ph 2 NK的反应导致形成三种不同的化合物。第一复合物不包含酰胺配体。它是具有典型的面部共享双面体结构Cl 2 Nb 2（μ-Cl）3（TMEDA）2（1）的混合价双核和顺磁性物种。第二络合物，三价和双核[（PH 2 N）2的Nb] 2 [μ-NPH（μ-η 1：η 2 -C 6 H ^ 4）]（μ-H）} 锂（TMEDA）2}·具有一个氢化物和一个环金属化芳环的甲苯（2）是两个金属中心氧化键合到CH键上的结果。在随后的反应步骤中，氧化加成之后是还原消除还原C-H键以形成中性，双核，和反磁性（PH 2 N）2铌[μ-NPH（η 6 -C 6 H ^ 5）] 2 Nb}·醚（3）包含处于+4和0形式氧化态的两种金属。从头算和EHMO计算已经进行，试图阐明这三种配合物中Nb-Nb相互作用的性质。 。
• Tri- and Tetravalent and Mixed-Valence Niobium Complexes Supported by a Tripodal Tripyrrolylmethane Trianion
  作者：Maryam Tayebani、Sabrina Conoci、Khalil Feghali、Sandro Gambarotta、Glenn P. A. Yap

  DOI：10.1021/om000501t

  日期：2000.10.1

  The reaction of Nb2Cl6(TMEDA)(2) with the potassium salt of tripyrrolylmethane in a 1:1 ratio afforded two products which have been isolated and characterized. The first compound is the dinuclear [HC(C4H3N)(3)]Nb(THF)}(2). 2THF (1), with two trivalent and diamagnetic metal centers bridged by two tripyrrolyl trianions. Each of the two ligands adopted a rather unusual bridging mode, with two rings each sigma -bonding one of the two metal. centers and the third both pi -bonded to one of the two niobium atoms and sigma -bonded to the other. The second product of the reaction is ([H(C4H3N)(3)](2)NbK)(2)}Nb4Cl11[K(THF)(2)](2)}. 2THF (2), which displays some unusual features. The complex is ionic, with the cationic Nb4Cl11[K(THF)(2)](2)}(2+) unit containing the metal in a mixed-valence state. The two positive charges of the cationic moiety are balanced by two identical anionic ([HC(C4H3N)(3)](2)NbK)(2)}(-) units, each containing Nb in the tetravalent state. Each anion is connected to an identical one by the bridging potassium atom, thus assembling a linear and anionic polymeric array. A similar reaction carried out with the lithium salt of the tripyyrolide anion led instead to the simple monomeric and tetravalent complex [HC(C4H3N)(3)](2)Nb}Li(THF)(4)}(2) (3).