Cu(naphtho[1,2-b]-1,10-phenanthroline)2ClO4 | 351535-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并噻唑类
• 英文名称: Cu(naphtho[1,2-b]-1,10-phenanthroline)2ClO4
• 英文别名: Copper(1+);2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene;perchlorate
• CAS: 351535-86-9
• 化学式: C₄₀H₂₄CuN₄*ClO₄
• 分子量: 723.654
• InChiKey: FTCPPRQHKCASIK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.42
• 重原子数：
  50
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 naphtho[1,2-b][1,10]phenanthroline 以 乙腈 为溶剂， 以92%的产率得到Cu(naphtho[1,2-b]-1,10-phenanthroline)2ClO4
  参考文献：
  名称：

  Crowded Cu(I) Complexes Involving Benzo[h]quinoline:  π-Stacking Effects and Long-Lived Excited States

  摘要：

  The Friedlander condensation was employed to synthesize two series of 3,3 ' -polymethylene bridged ligands, L, based on 2-(2 ' -pyridyl)-benzo[h]quinoline and 2,2 ' -bibenzo[h]quinoline (BHQ) along with the fully aromatic naphtho[1,2-b]-1,10-phenanthroline. Complexes [Cu(L)(2)](+) were prepared as their perchlorate or hexafluorophosphate salts. The solution state structures were analyzed by NMR and shielding effects reflected significant interligand pi -stacking interaction in the complexes. Solid-state structures of the complexes where L = 3,3 ' -tetramethylene-2,2 ' -bibenzo[h]quinoline or naphtho[1,2-b]-1,10-phenanthroline were determined by X-ray analysis. The tetramethylene bridged complex showed a highly distorted coordination geometry with the BHQ rings of opposing ligands pi -stacked at a interplanar distance of about 3.37 Angstrom. Complexes of the BHQ series showed a pronounced MLCT absorption maximum which shifted bathochromically from 496 to 610 nm as the 3,3 ' -bridge decreased from 4 to 2 carbons. The BHQ complexes luminesced strongly in CH2Cl2 solution and the tetramethylene-bridged system showed the longest yet recorded excited-state lifetime for a copper MLCT excited state, tau = 5.3 mus and Phi = 0.10.

  DOI：

  10.1021/ic010297h