[Cu(1,10-phenanthroline)(NCS)2] | 19319-87-0

• 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: [Cu(1,10-phenanthroline)(NCS)2]
• 英文别名: [Cu(1,10-phen)(NCS)2]
• CAS: 19319-87-0
• 化学式: C₁₄H₈CuN₄S₂
• 分子量: 359.922
• InChiKey: UCMORGBHONBSJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [Cu(1,10-phenanthroline)(ClO4)2]*99H2O 、 氨基硫脲 以 甲醇 、 乙腈 为溶剂， 生成 [Cu(1,10-phenanthroline)(NCS)2]
  参考文献：
  名称：

  Unique copper ion catalyzed hydrolytic cleavage of C–N(2) bond of thiosemicarbazide

  摘要：

  For the first time, stable but coordinatively unsaturated Cu(II) complexes (Cu(2,2'-bpy)X,] - xH(2)O (X = ClO4, NO3, CH3COO and 2,2'-bpy = 2,2'-bipyridyl) have been found to promote the hydrolysis of C-N(2) bond of thiosemicarbazide (tsc) at 25 degrees C and at neutral pH yielding monomeric [Cu(2,2-bpy)(NCS)(2)]. Direct reaction between [Cu(2,2'-bPY)(2)]Cl-2 center dot 6H(2)O, KSCN and CuCl2 results in polymeric [Cu(2,2'-bpy)(NCS)2], [1] (Inorg. Chim. Acta. 286 (1999) 108]. Similarly tsc is cleaved by Cu(I) complex [Cu(phi P-3)(2)(CH3CN)(2)]ClO4 [phi P-3 = triphenylphosphinel which itself is converted into dimeric [Cu(phi P-3)(2)(NCS)](2). (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2005.05.021

文献信息

• Dubey, S. N., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1981, vol. 20, # 4, p. 406 - 408
  作者：Dubey, S. N.

  DOI：——

  日期：——
• Crystal and molecular structure and spectral properties of diisothiocyanato-(1,10-phenanthroline)copper(II)
  作者：Gary L. Breneman、O.Jerry Parker

  DOI：10.1016/s0277-5387(00)81542-9

  日期：1993.4

  Adding solid NH4SCN to a light blue solution which contains a pale green precipitate of Cu(phen)Cl2 produces a green solid that can-be recrystallized to produce single crystals. The IR spectrum indicates that both ends of the thiocyanate ion bond to the copper. An X-ray structure determination verifies this conclusion. The structure of this complex has a four-coordinated distorted square-planar arrangement of nitrogen atoms with one nitrogen-bonded thiocyanate twisted above the plane described by copper and phen, and another thiocyanate twisted below the plane. The sulphur ends of the two thiocyanates form longer fifth and sixth bonds to copper atoms in adjacent molecules, forming a linear infinite chain of SCN- bridged copper atoms. The copper is thus six-coordinated with distorted tetragonal symmetry.