[(μ-i-mnt)Au((C6H5)2Pb15c5)] | 873543-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [(μ-i-mnt)Au((C6H5)2Pb15c5)]
• 英文别名: [(μ-1,1-dicyanoethylene-2,2-dithiolate)Au((C6H5)2P-benzo-15-crown-5)]
• CAS: 873543-27-2
• 化学式: C₅₆H₅₈Au₂N₂O₁₀P₂S₂
• 分子量: 1439.1
• InChiKey: XBQMHESOXCDKDN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.87
• 重原子数：
  74.0
• 可旋转键数：
  12.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  139.88
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  17-diphenylphosphino-2,5,8,11,14-pentaoxa-bicyclo<13.4.0>-nonadeca-15,17,19-triene 在 2,2'-thiodiethanol 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 [(μ-i-mnt)Au((C6H5)2Pb15c5)]
  参考文献：
  名称：

  Luminescent phosphinocrown-containing gold(I) complexes: Their syntheses, spectroscopic studies and host–guest chemistry

  摘要：

  A series of phosphinocrown ether-containing gold(I) complexes, [Au(Ph2P-b15c5)Cl] (1), [Au-2(mu-i-mnt)(Ph2P-b15c5)(2)] (2) and [Au-2(mu-dtc)(Ph2P-b15c5)(2)](PF6) (3) (b15c5 = benzo-15-crown-5, i-mnt(2-) = 1,1-dicyanoethylene-2,2-dithiolate, dtc(-) = diethyldithiocarbamate) have been synthesized. Complexes 2 and 3 center dot NaPF6 have also been structurally characterized. The emission bands at ca. 500-515 nm for 2 and 3 upon photo-excitation are tentatively assigned as derived from excited states of S -> Au ligand-to-metal charge transfer (LMCT) origin. These complexes have been shown to serve as host for the specific binding of various metal cations. (c) 2005 Elsevier B.V.. All rights reserved.

  DOI：

  10.1016/j.ica.2005.03.033