(1,2-dimethoxyethane)TaCl3(NNPh2) | 1226994-68-8

• 英文名称: (1,2-dimethoxyethane)TaCl3(NNPh2)
• 英文别名: (κ2-CH3O(CH2)2OCH3)TaCl3(N2Ph2)；(dme)TaCl3(NNPh2)
• CAS: 1226994-68-8
• 化学式: C₁₆H₂₀Cl₃N₂O₂Ta
• 分子量: 559.654
• InChiKey: SIIPPHGQWFDWHA-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：

  2,2'-联吡啶 、 (1,2-dimethoxyethane)TaCl3(NNPh2) 以 苯 为溶剂， 生成 (2,2'-bipyridine)TaCl3(N2Ph2)
  参考文献：
  名称：

  (dme)MCl₃(NNPh₂) (dme = dimethoxyethane; M = Nb, Ta): A Versatile Synthon for [Ta═NNPh₂] Hydrazido(2-) Complexes

  摘要：

  Complexes (dme)TaCl3(NNPh2) (1) and (dme)NbCl3(NNPh2) (2) (dme =1,2-dimethoxyethane) were synthesized from MCl5 and diphenylhydrazine via a Lewis-acid assisted dehydrohalogenation reaction. Monomeric 1 has been characterized by X-ray, IR, UV-vis, H-1 NMR, and C-13 NMR spectroscopy and contains a kappa(1)-bound hydrazido(2-) moiety. Unlike the corresponding imido derivatives, 1 is dark blue because of an LMCT that has been lowered in energy as a result of an N-alpha-N-beta antibonding interaction that raises the highest occupied molecular orbital (HOMO). Reaction of 1 with a variety of neutral, mono- and dianionic ligands generates the corresponding ligated complexes retaining the kappa(1)-bound [Ta-NNPh2] moiety.

  DOI：

  10.1021/ic1004193
• 作为产物：
  描述：

  乙二醇二甲醚 、 五氯化钽 、 N,N-二苯基肼 在 C₅H₅N 作用下， 以 二氯甲烷 为溶剂， 生成 (1,2-dimethoxyethane)TaCl3(NNPh2)
  参考文献：
  名称：

  Groups 5 and 6 Terminal Hydrazido(2−) Complexes: N_β Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States

  摘要：

  Brightly colored terminal hydrazido(2-) (dme)MCl3(NNR2) (dme = 1,2-dimethoxyethane; M = Nb, Ta; R = alkyl, aryl) or (MeCN)WCl4(NNR2) complexes have been synthesized and characterized. Perturbing the electronic environment of the beta (NR2) nitrogen affects the energy of the lowest-energy charge-transfer (CT) transition in these complexes. For group 5 complexes, increasing the energy of the N-beta lone pair decreases the ligand-to-metal CT (LMCT) energy, except for electron-rich niobium diallcylhydrazides, which pyramidalize N-beta in order to reduce the overlap between the Nb=N-alpha pi bond and the N-beta lone pair. For W complexes, increasing the energy of N-beta eventually leads to reduction from formally [W-VI N-NR2] with a hydraziclo(2-) ligand to [W-IV=N=NR2] with a neutral 1,1-diazene ligand. The photophysical properties of these complexes highlight the potential redox noninnocence of hydrazido ligands, which could lead to ligand- and/or metal-based redox chemistry in early transition metal derivatives.

  DOI：

  10.1021/ja302275j