palladium(II)(azobenzene)(succinimide)P(4-C6H4F)3 | 473452-48-1

• 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: palladium(II)(azobenzene)(succinimide)P(4-C6H4F)3
• CAS: 473452-48-1
• 化学式: C₃₄H₂₅F₃N₃O₂PPd
• 分子量: 701.98
• InChiKey: YMQRLOIVLLIODA-KXVYGGSGSA-M

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：

  bis[palladium(II)(μ-succinimide)(azobenzene)] 、 三(4-氟苯基)磷化氢 以 二氯甲烷 为溶剂， 以63%的产率得到palladium(II)(azobenzene)(succinimide)P(4-C6H4F)3
  参考文献：
  名称：

  Synthesis and characterization of new cyclometallated Pd(II) complexes with bridging or terminal imidato ligands. Crystal structures of [{Pd(μ-succinimide)(phpy)}2] and [Pd(azb)(succinimide)(PPh3)] (phpy = 2-phenylpyridine; azb=azobenzene)

  摘要：

  Two series of new dinuclear cyclometallated palladium complexes [{Pd(mu-NCO)(C<^>N)}(2)] containing asymmetric imidato NCO- bridging units have been synthesized [C <^> N = azobenzene (azb); -NCO- = succinimide (1a), phthalimide (2a) or maleimide (3a); C <^> N = 2-phenylpyridine (phpy); -NCO- = succinimide (1b), phthalimide (2b) or maleimide (3b)]. The reaction of both succinimidato precursors with tertiary phosphines to form the mononuclear N-bonded imidato derivatives of general Formula [Pd(C <^> N)(suc)(L)] [C <^> N = azb; L - PPh3 (4a), PPh2Me (5a), PPhMe2 (6a), P(4-F-C6H4)(3). (7a), P(4-MeO-C6H4)(3) (8a) C <^> N = phpy L = PPh3 (4b), PPh2Me (5b), PPhMe2 (6b), P(4-F-C6H4)(3) (7b), P(4-MeO-C6H4)(3) (8b)] has been investigated. The new complexes were characterized by partial elemental analyses and spectroscopic methods (IR, FAB, H-1, C-13 and P-31). The single-crystal structures of 1b and 4a have been established. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01041-0

文献信息

• Solid state conformational and theoretical study of complexes containing the (CxN)Pd moiety (CxN = 2-(phenylazo)phenyl-C,N and its derivatives)
  作者：José Pérez、Luis García、Eduardo Pérez、José Luis Serrano、José Francisco Martínez、Gregorio Sánchez、Gregorio López、Arturo Espinosa、Malva Liu、Franciso Sanz

  DOI：10.1039/b302653a

  日期：——

  most frequently found in phenylazophenyl palladium complexes. Crystal structures of three succinimidate complexes having the title moiety are reported. The succinimidate ligand adopts a nearly perpendicular conformation to the metal coordination plane. A theoretical study using either Molecular Mechanical, Semiempirical and Density Functional Theory ab initio levels helps to grasp the main geometrical

  具有2-（苯基偶氮）苯基-C，N的钯配合物 配体展示出一个平面螯合环，其N N和N C的距离分别比在N中发现的长和短反偶氮苯。这配体 络合时不是平面的， 苯基环和在剑桥结构数据库中发现的螯合度为45.6°。我们已经量化并表征了金属中心周围平面协调引起的变形的种类。所采用的方法利用了两个不正确的扭转角，在苯偶氮苯基钯络合物中最常见的是四面体形变。报道了具有标题部分的三种琥珀酰亚胺酸酯络合物的晶体结构。琥珀酰亚胺配体采用与金属配位平面几乎垂直的构型。使用分子力学，半经验和密度泛函理论从头算水平进行的理论研究有助于掌握主要的几何特征。