N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine | 283593-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine
• CAS: 283593-78-2
• 化学式: C₄₆H₄₆N₂P₂
• 分子量: 688.832
• InChiKey: KSWZPRBJMGLZBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  50
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(propyl)amino]methyl]anthracen-9-yl]methyl]propan-1-amine 以 二氯甲烷 为溶剂， 以75.3%的产率得到
  参考文献：
  名称：

  Formation of Group 11 Metal(I)-Arene Complexes:  Bonding Mode and Molecule-Responsive Spectral Variations

  摘要：

  Two N(n-Pr)PPh2 groups appended to the 9,10-anthracene positions through methylene spacers as a bidentate ligand coordinate with Cu+, Ag+, and Au+ ions efficiently to afford endocyclic metal complexes with metal-eta(6)-arene bonding, rarely observed for the group 11 metal ions. The three-center metal-NP and metal-eta(6)-arene bonding patterns in the endocyclic complexes were confirmed using ab initio and density functional calculations. The close metal-anthracene centroid distances significantly affected absorption and fluorescence properties of the complexes in solution. Among them the Cu+ complex has the shortest metal-anthracene distance and most drastic spectral abnormality. The close distances also controlled the endocyclic-exocyclic metal transition of the complexes, wherein the equilibrium heavily favored the former on account of eta(6) interactions. These complexes reacted with phosphines in solution to give highly fluorescent species that were proposed to possess the exocyclic configuration with the three-coordinated metal center. These exocyclic metal complexes as well as the ligand itself all form respective excimers from their singlet excited states to exhibit an additional broad fluorescence at about 455 nm. The excimers are assumed to arise from an interaction of the excited anthracene moiety with an N-P group of the ground state exocyclic molecule. The observed molecule-responsive light-switchable spectral variations have been discussed in terms of structural changes in the endocyclic-exocyclic metal transitions.

  DOI：

  10.1021/om020668h

文献信息

• A New η⁶-Anthraceno−Diphosphine−Silver(I) Complex and Molecular Light Switch Effect
  作者：Feng-Bo Xu、Lin-Hong Weng、Li-Juan Sun、Zheng-Zhi Zhang、Zhi-Feng Zhou

  DOI：10.1021/om9909237

  日期：2000.7.1

  The emissive anthraceno-diphosphine I reacts with Ag+ ion to afford the nonemissive eta(6)-anthraceno-Ag+ complex 2. Binding of a phosphine molecule to the latter in CH2Cl2 solution by a ligand substitution reaction triggers a strong photoluminescence.
• Formation of Group 11 Metal(I)-Arene Complexes:  Bonding Mode and Molecule-Responsive Spectral Variations
  作者：Feng-Bo Xu、Qing-Shan Li、Li-Zhu Wu、Xue-Bing Leng、Zu-Cheng Li、Xian-Shun Zeng、Yuan L. Chow、Zheng-Zhi Zhang

  DOI：10.1021/om020668h

  日期：2003.2.1

  Two N(n-Pr)PPh2 groups appended to the 9,10-anthracene positions through methylene spacers as a bidentate ligand coordinate with Cu+, Ag+, and Au+ ions efficiently to afford endocyclic metal complexes with metal-eta(6)-arene bonding, rarely observed for the group 11 metal ions. The three-center metal-NP and metal-eta(6)-arene bonding patterns in the endocyclic complexes were confirmed using ab initio and density functional calculations. The close metal-anthracene centroid distances significantly affected absorption and fluorescence properties of the complexes in solution. Among them the Cu+ complex has the shortest metal-anthracene distance and most drastic spectral abnormality. The close distances also controlled the endocyclic-exocyclic metal transition of the complexes, wherein the equilibrium heavily favored the former on account of eta(6) interactions. These complexes reacted with phosphines in solution to give highly fluorescent species that were proposed to possess the exocyclic configuration with the three-coordinated metal center. These exocyclic metal complexes as well as the ligand itself all form respective excimers from their singlet excited states to exhibit an additional broad fluorescence at about 455 nm. The excimers are assumed to arise from an interaction of the excited anthracene moiety with an N-P group of the ground state exocyclic molecule. The observed molecule-responsive light-switchable spectral variations have been discussed in terms of structural changes in the endocyclic-exocyclic metal transitions.