dibromonickel;(Z)-1-dicyclohexylphosphanyl-N-[(E)-(1-dicyclohexylphosphanyl-3,3-dimethylbutan-2-ylidene)amino]-3,3-dimethylbutan-2-imine | 496770-13-9

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: dibromonickel;(Z)-1-dicyclohexylphosphanyl-N-[(E)-(1-dicyclohexylphosphanyl-3,3-dimethylbutan-2-ylidene)amino]-3,3-dimethylbutan-2-imine
• CAS: 496770-13-9
• 化学式: Br*C₃₆H₆₆BrN₂NiP₂
• 分子量: 807.379
• InChiKey: XJNHKFRMLNTGEI-GBJMTVQWSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  13.86
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  、 nickel dibromide 以 丙酮 为溶剂， 以95%的产率得到dibromonickel;(Z)-1-dicyclohexylphosphanyl-N-[(E)-(1-dicyclohexylphosphanyl-3,3-dimethylbutan-2-ylidene)amino]-3,3-dimethylbutan-2-imine
  参考文献：
  名称：

  Cationic nickel(II) complexes with azine diphosphines—structural and electrochemical study

  摘要：

  Nickel(II) complexes of azine diphosphine ligands, PR2CH2C(Bu-t)NNC(Bu-t)CH2PR2 (R = Ph, Bu-t, Pr-i, C6H11), were prepared for the first time by reactions of anhydrous NiX2 (X = Cl, Br, I) with ligands. Complexes are cationic, the counterion being either simple halide anion or, in two cases, 1/2[NiCl4](2-). The azine diphosphines are coordinated terdentately in (E,Z) configuration forming thereby a bicyclic ligand frame (five and six-membered ring) with diphosphine bite angles 160-165degrees. A balance of stereoelectronic factors governing square planar versus tetrahedral coordination of the ligands is suggested. Structures of four of the complexes with bulky ligands (R = Bu-t, X- = Cl-, Br-, I-; R = C6H11, X- = 1/2[NiCl](2-)) were determined by X-ray diffraction and qualitative Huckel MO calculations on model undistorted square planar [trans-NiX(NH2)(PH3)(2)](+) were carried out to elucidate the contributions of steric and electronic factors. Two reduction and two oxidation processes depending on the substituent R and the halide were identified from cyclic voltammetry data on the complexes. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00982-9