bis[2-[(octylimino)methyl]phenolato-N,O] palladium(II) | 107424-55-5

• 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: bis[2-[(octylimino)methyl]phenolato-N,O] palladium(II)
• CAS: 107424-55-5
• 化学式: C₃₀H₄₄N₂O₂Pd
• 分子量: 571.112
• InChiKey: SDPNDZUPUBPSKU-OBRUGXQASA-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：

  二(氰基苯)二氯化钯 、 1-hydroxy-2-octyliminomethylbenzene 在 KOH 作用下， 以 乙醇 为溶剂， 以60%的产率得到bis[2-[(octylimino)methyl]phenolato-N,O] palladium(II)
  参考文献：
  名称：

  双[水杨酰亚氨基]钯（II）配合物的合成与表征。双分子结构[ ñ - （正丁基）（3-苄氧基）-2- salicylideneaminato] -钯（II），PD（C 18 ħ 20 NO 2）2 ]

  摘要：

  具有液晶性质的过渡金属化合物可以是实际应用中令人感兴趣的材料。为了使介晶性质与分子结构和晶体堆积模式相关联，我们研究了一些从长链脂族胺和水杨醛或2,3-二羟基苯甲醛衍生物的席夫碱获得的配合物。还报道了双[ N-（正丁基）（3-苄氧基）-2-水杨酰亚氨合]钯[II]的X射线结构分析。

  DOI：

  10.1016/s0020-1693(00)81638-2

文献信息

• Metal complexes of π-expanded ligands (2): Synthesis and characterizations of bis[2-[(octylimino)methyl]-1-pyrenolato-N,O] palladium(II) and the stabilized vacant <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.gif" overflow="scroll"><mml:mrow><mml:msub><mml:mrow><mml:mi>d</mml:mi></mml:mrow><mml:mrow><mml:msup><mml:mrow><mml:mi>x</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:mo>-</mml:mo><mml:msup><mml:mrow><mml:mi>y</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:msub></mml:mrow></mml:math> orbital
  作者：Luong Xuan Dien、Ken-ichi Yamashita、Ken-ichi Sugiura

  DOI：10.1016/j.poly.2015.07.043

  日期：2015.12

  A palladium(II) complex of our pi-expanded ligand, i.e., a salicylaldimine-style ligand based on pyrene, was synthesized and characterized. A treatment of this ligand (L) with palladium(II) acetate afforded the desired metal complex, Pd(II)L-2, 3(Pd). Single crystal diffraction study revealed that this complex is a square planar four-coordinate palladium(II) complex. The structure of 3(Pd), i.e., shapes of the complexes, bond distances and angles, packing motif, is nearly identical with those of the previously reported the platinum(II) complexes, 2(Pt), as well as in the range of the values reported for structurally similar salicylaldiminato palladium(II) complexes. Although the IR spectrum of 3(Pd) is similar to that of 2(Pt), H-1 NMR of 3(Pd) reflects the electronegative character of palladium, i.e., higher field shift was observed comparing with the spectrum of 2(Pt). The incorporated palladium induces the stabilization of the Kohn-Sham orbitals containing d-orbital coefficients of the metal. The significant difference is the following: the LUMO of 2(Pt) is the pi-orbitals of the ligand, contrary, that of 3(Pd) is the vacant 4d(x2-y2) of Pd. Therefore, excitations from occupied pi-orbitals to this LUMO are mostly forbidden and the allowed transition to LUMO+1 and the higher pi-orbitals were shifted to blue region. The lowest excitation energy of 3(Pd) was found at 497 nm. (C) 2015 Elsevier Ltd. All rights reserved.