[ZnCl2((E)-4-MeO-N-(pyridin-2-ylmethylene)aniline)] | 101652-39-5

• 英文名称: [ZnCl2((E)-4-MeO-N-(pyridin-2-ylmethylene)aniline)]
• 英文别名: [(4‐methoxy‐N‐(pyridin‐2‐ylmethylene)aniline)ZnCl₂]；[(L‐a)ZnCl₂]
• CAS: 101652-39-5
• 化学式: C₁₃H₁₂Cl₂N₂OZn
• 分子量: 348.547
• InChiKey: FCBYCZXEXGQODB-RJQKUYQSSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  吡啶-2-甲醛 以 乙醇 、 二氯甲烷 为溶剂， 反应 84.0h， 生成 [ZnCl2((E)-4-MeO-N-(pyridin-2-ylmethylene)aniline)]
  参考文献：
  名称：

  含有4-甲氧基-N-（吡啶-2-基亚甲基）苯胺衍生物的锌（II），钯（II）和镉（II）配合物：合成，表征和甲基丙烯酸甲酯聚合

  摘要：

  一系列的Zn（II），Pd（II）和Cd（II）配合物，[（L）n MX 2 ] m（L = L–a–L–c; M = Zn，Pd; X = Cl; M = Cd; X = Br; n，m  = 1或2），包含4-甲氧基-N-（吡啶-2-基亚甲基）苯胺（L-a），4-甲氧基-N-（吡啶-2-基甲基）苯胺（大号-b ）和4-甲氧基- ñ甲基ñ - （吡啶-2-基甲基）苯胺（L-C ）已经被合成和表征。Pd（II）配合物[L 1 PdCl 2 ]的X射线晶体结构（L = Lb和Lc）揭示了通过吡啶和胺基团的氮原子和两个氯配体的配位相互作用获得的扭曲的正方形平面几何形状。最好将[（L-a）ZnCl 2 ]和[（L-c）ZnCl 2 ]中的Zn（II）中心周围的几何形状描述为扭曲的四面体，而[（L-b）2 ZnCl 2 ]和[（ L–b）2 CdBr 2 ]分别通过2当量配体实现了Zn和Cd中心周

  DOI：

  10.1002/aoc.4797

文献信息

• Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi–pi stacking and photoluminescence
  作者：Amit Saha Roy、Pinaki Saha、Partha Mitra、Shyam Sundar Maity、Sanjib Ghosh、Prasanta Ghosh

  DOI：10.1039/c1dt10270b

  日期：——

  Three types of atropisomeric unsymmetrical diimine complexes, tetrahedral (LRϕ)MX2 (M = Zn, Cd; X = Cl, Br; R = Me, CMe3, OH, OMe, Cl; 1a–k, type-I), tetrahedral (LMe2ϕ)ZnBr2 (2, type-II) and square planar (LOHϕ)PdCl2 (3, type-III) with different photoluminescence properties, have been reported (LRϕ = (E)-4-R-N-(pyridine-2-ylmethylene)aniline; ϕ = dihedral angle between the diimine unit including the pyridine ring and the phenyl ring planes). In crystals, ϕ = 0° for type-I, 90° for type-II and 63° for type-III atropisomers have been confirmed by single crystal X-ray structure determinations of 1c, 1e, 2 and 3·H2O isomers. Optimizations of geometries in methanol have established ϕ = 28–32° for type-I, 90.83° for type-II and 43.44° for type-III isomers. In solids, type-I atropisomers with ϕ = 0, behave as conjugated 14πe systems facilitating π–π stacking and are brightly luminescent at room temperature while type-II and type-III isomers in solid and type-I isomers in solutions are more like non-conjugated 8πe + 6πe systems and non-emissive. Frozen glasses of acetonitrile, methanol and dichloromethane–toluene mixture at 77 K of type-I isomers are emissive and display structured excitation and emission spectra for R = Me, CMe3, OMe species. Excitation and emission maxima of frozen glasses (λex = 320–380 nm; λem = 440–485 nm) are red shifted in the solid (λex = 390–455 nm; λem = 470–550 nm). TD–DFT calculations on 1b, 1d, 1f and stacked (1b)2 isomers and luminescence lifetime measurements have elucidated that an excited 1ILCT state has been the origin of emission of the type-I isomers and delocalizations of the photoactive πdiimine and πdiimine* orbitals of the LRϕ over the stacked layers shift the λext and λem of solids to lower energies than those in frozen glasses. The trends of diimine ligand based electron transfer events of the complexes in DMF have been investigated by cyclic voltammetry at 298 K.

  的作者： 梅尔文·莫里斯（Melvin Morris）和约翰·斯通（John Stone） 梅尔文·莫尔斯（Melvin Morris）和约翰·斯通（John Stone） 梅尔文·莫尔斯（Melvin Morris）和约翰·斯通（John Stone） 梅尔文·玻璃的作者： 梅尔文·莫里斯（Melvin Morris）和约翰·斯通（John Stone） 梅尔文·莫尔斯（Melvin Morris）和约翰·斯通（John Stone） 梅尔文·莫尔斯（Melvin Morris）和约翰·斯通（John Stone） 梅尔文·莫尔斯（Melvin Morris）和约翰·斯
• Configuration of imino carbon palladated pyridine-2-carbaldimines. Crystal and molecular structure of trans-chlorobis(dimethylphenylphosphine)[(p-methoxyphenyl)imino](2-pyridyl)methyl]palladium(II)
  作者：Bruno Crociani、Marcellina Sala、Adriano Polo、Gabriella Bombieri

  DOI：10.1021/om00138a012

  日期：1986.7