N,N'-bis(1H-pyrrol-2-ylmethylene)-4,5-dichloro-1,2-benzenediaminato nickel(II) | 685144-15-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis(1H-pyrrol-2-ylmethylene)-4,5-dichloro-1,2-benzenediaminato nickel(II)
• CAS: 685144-15-4
• 化学式: C₁₆H₁₀Cl₂N₄Ni
• 分子量: 387.878
• InChiKey: YUZHTKPHXXLEIG-JMHDLFIFSA-N

反应信息

• 作为产物：
  描述：

  2-吡咯甲醛 、 4,5-二氯邻苯二胺 、 nickel(II) acetate tetrahydrate 以 甲醇 、 水 为溶剂， 以70%的产率得到N,N'-bis(1H-pyrrol-2-ylmethylene)-4,5-dichloro-1,2-benzenediaminato nickel(II)
  参考文献：
  名称：

  Synthesis, crystal structure, and second-order nonlinear optical properties of [N,N′-bis(1H-pyrrol-2-ylmethylene)-1,2-benzenediaminato]nickel(II) Schiff base complexes

  摘要：

  The synthesis, characterization, crystal structure, thermal stability, optical spectroscopic, electronic structure, and second-order nonlinear optical (NLO) properties of a novel class of materials, based on planar [N-4]Ni(II) complexes, are reported. The single-crystal X-ray structure of the dichloro derivative indicates a planar structure of the molecule. The Ni(II) ion is tetracoordinated in a square planar environment, with the four nitrogen atoms as donors. The unsubstituted derivative exhibits efficiency 1.2 times that of urea in second-harmonic generation at 1.9 mum. INDO/SCI-SOS quantum-chemical calculations predict a sizeable molecular response and a significant octupolar contribution to optical nonlinearity. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.09.023