sym-Dipyridyl-18-kronen-6 | 53914-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: sym-Dipyridyl-18-kronen-6
• 英文别名: 3,6,10,13-tetraoxa-1(2,6),8(2,6)-dipyridinacyclotetradecaphan；3,6,10,13-tetraoxa-1,8(2,6)-dipyridina-cyclotetradecaphane；bis-pyridino-18-crown；Bis-pyridino-18-crown-6；3,6,14,17-tetraoxa-23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
• CAS: 53914-90-2
• 化学式: C₁₈H₂₂N₂O₄
• 分子量: 330.384
• InChiKey: KDXQTDAAMCUCQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  高氯酸 、 europium(III) oxide 、 sym-Dipyridyl-18-kronen-6 以 甲醇 为溶剂， 生成 bis(perchlorato)(bis-pyridino-18-crown)europium(II)
  参考文献：
  名称：

  A europium(II) complex with bis-pyridino-18-crown-6

  摘要：

  A new Eu(II) complex, bis(perchlorato)(bis-pyridino-18-crown)europium(II), has been obtained in the crystalline form by electrolytic reduction. The metal ion is 10-coordinated and its surrounding consists of four macrocycle O atoms, two N ones and four O atoms from perchlorate anions. The compound shows a very broad absorption band, starting gently from 600 nm towards the UV region, and two weak luminescence bands with maxima at 430 and 500 nm. The performed density functional theory (DFT) calculations have shown that the absorption results from mixed f-d, f-s and charge transfer transitions. The possible mechanism of luminescence is also discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.05.028
• 作为产物：
  描述：

  2,6-双(溴甲基)吡啶 、 乙二醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 sym-Dipyridyl-18-kronen-6
  参考文献：
  名称：

  Pyridyl unit in host compounds

  摘要：

  DOI：

  10.1021/ja00828a071

文献信息

• Pyridyl unit in host compounds
  作者：Martin Newcomb、George W. Gokel、Donald J. Cram

  DOI：10.1021/ja00828a071

  日期：1974.10
• NEWCOMB M.; GOKEL G. W.; CRAM D. I., I. AMER. CHEM. SOC. <IACS-AT>, 1974, 96, NO 21, 6810-6811
  作者：NEWCOMB M.、 GOKEL G. W.、 CRAM D. I.

  DOI：——

  日期：——
• A europium(II) complex with bis-pyridino-18-crown-6
  作者：Jens Christoffers、Przemysław Starynowicz

  DOI：10.1016/j.poly.2008.05.028

  日期：2008.8

  A new Eu(II) complex, bis(perchlorato)(bis-pyridino-18-crown)europium(II), has been obtained in the crystalline form by electrolytic reduction. The metal ion is 10-coordinated and its surrounding consists of four macrocycle O atoms, two N ones and four O atoms from perchlorate anions. The compound shows a very broad absorption band, starting gently from 600 nm towards the UV region, and two weak luminescence bands with maxima at 430 and 500 nm. The performed density functional theory (DFT) calculations have shown that the absorption results from mixed f-d, f-s and charge transfer transitions. The possible mechanism of luminescence is also discussed. (C) 2008 Elsevier Ltd. All rights reserved.
• Host-guest complexation. 3. Organization of pyridyl binding sites
  作者：Martin Newcomb、Joseph M. Timko、David M. Walba、Donald J. Cram

  DOI：10.1021/ja00461a035

  日期：1977.9