[ZnCl2(η3-N,N,O-di-2-pyridyl ketone benzoyl hydrazone)] | 1011712-01-8

• 英文名称: [ZnCl2(η3-N,N,O-di-2-pyridyl ketone benzoyl hydrazone)]
• CAS: 1011712-01-8
• 化学式: C₁₈H₁₄Cl₂N₄OZn
• 分子量: 438.631
• InChiKey: AYXIMJMFXDNBLL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  zinc(II) chloride 、 二-2-吡啶基酮苯甲酰腙 以 乙腈 为溶剂， 以80%的产率得到[ZnCl2(η3-N,N,O-di-2-pyridyl ketone benzoyl hydrazone)]
  参考文献：
  名称：

  Synthesis, characterization and molecular sensing behavior of [ZnCl2(η3-N,N,O-dpkbh)] (dpkbh=di-2-pyridyl ketone benzoyl hydrazone)

  摘要：

  The reaction between ZnCl2 and di-2-pyridyl ketone benzoyl hydrazone (dpkbh) in acetonitrile under ultrasonic or reflux conditions gave [ZnCl2(eta(3)-N,N,O-dpkbh)] in good yield. The identity of the compound was established from the results of its elemental analysis and a number of spectroscopic measurements. Solid-state infrared spectra of [ZnCl2(eta(3)-N,N,O-dpkbh)] reveal the coordination of dpkbh, the presence of the amide proton and binding of the oxygen atom of dpkbh. H-1 NMR spectra of [ZnCl2(eta(3)- N,N,O-dpkbh)] show sensitivity to solvent and temperature variations and confirm the coordination of dpkbh. The electronic absorption spectra of [ZnCl2(eta(3)-N,N,O-dpkbh)] in non-aqueous media show high sensitivity to changes in their surroundings and divulge two interlocked intra-ligand-charge transfer (ILCT) transitions of the donor-acceptor type between 300 and 500 nm. Optical measurements show reversible inter-conversion between two forms of [ZnCl2(eta(3)-N,N,O-dpkbh)] that may be due to complex-substrate interactions and thermodynamic analysis gave changes in enthalpy (Delta H-0) of -23.3 and +14.1 kJ mol(-1), entropy (Delta S-0) of -51 and +31 J mol(-1)K(-1), and free energy (AGO) of -8.16 and +4.54 kJ mol(-1) at 298.15 K in DMF and DMSO, respectively. Substrates in concentrations as low as 10(-5) M can be detected and determined using [ZnCl2(eta(3)-N,N,O-dpkbh)] in polar solvents. A provisional model for the binding of substrate to [ZnCl2(eta(3)-N,N,O-dpkbh)] is developed and a binding constant in the range 6000-8000 M-1 is obtained in the case of ZnCl2 in DMSO. Electrochemical measurements on [ZnCl2(eta(3)-N,N,O-dpkbh)] in DMF show irreversible metal and ligand-based redox processes, and electrochemical reactions of dpkbh with ZnCl2 show facile coordination of ZnCl2 and formation of [ZnCl2(eta(3)-N,N,O-dpkbh)]. X-ray structural analysis done on a crystal grown from a DMF solution of [ZnCl2(eta(3)-N,N,O-dpkbh)] confirmed the identity of [ZnCl2(eta(3)-N,N,O-dpkbh)] and shows an extensive network of non-covalent interactions that connects all molecules. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.03.001