Pd(1,2-maleonitriledithiolate)(1,10-phenanthroline) | 80316-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: Pd(1,2-maleonitriledithiolate)(1,10-phenanthroline)
• 英文别名: Pd(phen)(mnt)；Pd(1,10-phenanthroline)(maleonitriledithiolato)
• CAS: 80316-82-1
• 化学式: C₁₆H₈N₄PdS₂
• 分子量: 426.818
• InChiKey: DNJFTWJHINVINS-LWFKIUJUSA-L

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

• 作为产物：
  描述：

  二氯(1,10-亚铁试剂)钯(II) 、 dimethyltin maleonitriledithiolate 以 丙酮 为溶剂， 以86%的产率得到Pd(1,2-maleonitriledithiolate)(1,10-phenanthroline)
  参考文献：
  名称：

  Maleonitriledithiolate complexes of Au(III), Au(I), Pd(II) and Pt(II) containing neutral or anionic ligands

  摘要：

  DOI：

  10.1016/s0020-1693(00)88567-9

文献信息

• Tuning the properties of M(diimine)(dithiolate) complexes – The role of the metal and solvent effect. A combined experimental, DFT and TDDFT study
  作者：Christodoulos Makedonas、Christiana A. Mitsopoulou

  DOI：10.1016/j.ica.2007.05.045

  日期：2007.11

  A combined experimental and DFT/TDDFT study on a series of seven M(diimine)(dithiolate) complexes of Group VIII metals has been performed. This analysis focuses mainly on three aspects: (a) the role of the metal, (b) the connection of NLO properties, through the intrinsic hyperpolarizability, with the slope of solvatochromic plots and (c) the effect of solvation on the valence orbitals of the complexes. Besides, the molecular and the electronic structure as well as the bonding scheme of these complexes are also explored. The three aforementioned aspects were not satisfactorily clarified in the literature up to now. Moreover, as it is proved, they possess a central role in the experimental design of the reactions in which these complexes take place or in the design of the synthesis of compounds with pre-required properties. (c) 2007 Elsevier B.V. All rights reserved.