silver 4-ethylbenzoate | 870814-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: silver 4-ethylbenzoate
• 英文别名: 4-ethyl-benzoic acid ; silver (I)-compound；4-EtC6H4COOAg；4-Aethyl-benzoesaeure; Silber(I)-Verbindung
• CAS: 870814-23-6
• 化学式: Ag*C₉H₉O₂
• 分子量: 257.037
• InChiKey: RQEGFMBNUSBIBZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  40.13
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [IrCl3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)] 、 silver 4-ethylbenzoate 以 N,N-二甲基乙酰胺 为溶剂， 以35.7%的产率得到[Ir(4-ethylbenzoate)3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)]
  参考文献：
  名称：

  Terpyridine Zn(II), Ru(III), and Ir(III) Complexes:  The Relevant Role of the Nature of the Metal Ion and of the Ancillary Ligands on the Second-Order Nonlinear Response of Terpyridines Carrying Electron Donor or Electron Acceptor Groups

  摘要：

  Coordination of 4 '-(C6H4-p-X)-2,2 ':6 ',2 ''-terpyridines [X = NO2, NBu2, (E)-CH=CH-C6H4-p-NBu2, (E,E)-(CH=CH)(2)C6H4-p-NMe2] to Zn(II), Ru(III), and Ir(III) metal centers induces a significant enhancement of the absolute value of the second-order nonlinear optical (NLO) response of the terpyridine, measured by means of both electric field induced second harmonic generation and solvatochromic methods. By varying the nature of the metal center, the enhanced second-order NLO response shifts from positive to negative. Such a shift is controlled by electronic charge-transfer transitions, such as metal-to-ligand or ligand-to-metal transitions, in addition to the intraligand charge transfer. The enhancement generated by coordination is also controlled by the chelation effect and by fine-tuning of the ancillary ligands.

  DOI：

  10.1021/ic050975q
• 作为产物：
  描述：

  对乙基苯甲酸 、 silver carbonate 以 乙腈 为溶剂， 以45%的产率得到silver 4-ethylbenzoate
  参考文献：
  名称：

  Terpyridine Zn(II), Ru(III), and Ir(III) Complexes:  The Relevant Role of the Nature of the Metal Ion and of the Ancillary Ligands on the Second-Order Nonlinear Response of Terpyridines Carrying Electron Donor or Electron Acceptor Groups

  摘要：

  Coordination of 4 '-(C6H4-p-X)-2,2 ':6 ',2 ''-terpyridines [X = NO2, NBu2, (E)-CH=CH-C6H4-p-NBu2, (E,E)-(CH=CH)(2)C6H4-p-NMe2] to Zn(II), Ru(III), and Ir(III) metal centers induces a significant enhancement of the absolute value of the second-order nonlinear optical (NLO) response of the terpyridine, measured by means of both electric field induced second harmonic generation and solvatochromic methods. By varying the nature of the metal center, the enhanced second-order NLO response shifts from positive to negative. Such a shift is controlled by electronic charge-transfer transitions, such as metal-to-ligand or ligand-to-metal transitions, in addition to the intraligand charge transfer. The enhancement generated by coordination is also controlled by the chelation effect and by fine-tuning of the ancillary ligands.

  DOI：

  10.1021/ic050975q

文献信息

• New [(D-terpyridine)-Ru-(D or A-terpyridine)][4-EtPhCO2]2 complexes (D = electron donor group; A = electron acceptor group) as active second-order non linear optical chromophores
  作者：Alessia Colombo、Danika Locatelli、Dominique Roberto、Francesca Tessore、Renato Ugo、Marco Cavazzini、Silvio Quici、Filippo De Angelis、Simona Fantacci、Isabelle Ledoux-Rak、Nicolas Tancrez、Joseph Zyss

  DOI：10.1039/c2dt30183k

  日期：——

  octupolar contributions of the second order nonlinear optical properties of [(4′-(C6H4-p-D)-2,2′:6′,2′′-terpyridine)-Ru-(4′-(C6H4-p-A)-2,2′:6′,2′′-terpyridine)]Y2 heteroleptic complexes (D and A are donor and acceptor groups, respectively), and related free terpyridines and homoleptic complexes, have been obtained by means of a comprehensive combination of Electric Field Induced Second Harmonic generation

  [[4'-（C 6 H 4 - p -D）-2,2'：6'，2''-吡啶吡啶）-Ru-（4'- （C 6 H 4 - p -A）-2,2'：6'，2''-叔吡啶）] Y 2杂化配合物（D和A分别是供体和受体基团）以及相关的游离吡啶和同化配合物，是通过电场诱导的第二谐波产生，第三谐波产生和谐波光散射测量的综合结合而获得的。这些结果证明了金属如何充当分别带有D和A基团的两个π-离域的叔吡啶部分之间的桥梁，从而导致大的二次超极化性，其主要由八极贡献支配。