trans-[PtCl₂(NCC₆H₄-4-Cl)₂] | 19727-18-5

• 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: trans-[PtCl₂(NCC₆H₄-4-Cl)₂]
• 英文别名: trans-[PtCl2(p-ClC6H4CN)2]；4-Chlorobenzonitrile;dichloroplatinum
• CAS: 19727-18-5
• 化学式: C₁₄H₈Cl₄N₂Pt
• 分子量: 541.123
• InChiKey: CWUVTTZZXJMALK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-二亚胺基异吲哚啉 、 trans-[PtCl₂(NCC₆H₄-4-Cl)₂] 以 氯仿 为溶剂， 反应 2.0h， 以69%的产率得到
  参考文献：
  名称：

  Pt(II) and Pd(II)-assisted coupling of nitriles and 1,3-diiminoisoindoline: Synthesis and luminescence properties of (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) and Pd(II) complexes

  摘要：

  Treatment of trans-[PtCl2(NCR)(2)] 1 (R = Me (1a), Et (1b), o-ClC6H4 (1c), p-ClC6H4 (1d), p-(HCdouble bond; length as m-dashO)C6H4 (1e), p-O2NC6H4CH2 (1f)) with 1,3-diiminoisoindoline HNdouble bond; length as m-dashCC(6)H(4)C(NH)double bond; length as m-dashNH 2 gives access to the corresponding (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) complexes [PtCl{NHdouble bond; length as m-dashC(R)Ndouble bond; length as m-dashC(C6H4)NCdouble bond; length as m-dashNC(R)double bond; length as m-dashNH}] 3a-f, in good yields (65-70%). The reaction of trans-[PdCl2(NCMe)(2)] 4a with 2 furnishes (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pd(II) complex [PdCl{NHdouble bond; length as m-dashC(Me)Ndouble bond; length as m-dashC(C6H4)NCdouble bond; length as m-dashNC(Me)double bond; length as m-dashNH}] 5a, in good yield (65%). However, the reaction of trans-[PdCl2(NCR)(2)] 4 (R = Ph (4b), p-MeC6H4CH2 (4c), p-(HCdouble bond; length as m-dashO)C6H4 (4d), p-O2NC6H4CH2 (4e)) with 2 gives a number of unidentified products. The compounds 3a-f and 5a were characterized by IR, 1H, 13C and DEPT-135 NMR spectroscopies, elemental analyses and, in the case of the Pt(II) complex [PtCl{NHdouble bond; length as m-dashC(Me)Ndouble bond; length as m-dashC(C6H4)NCdouble bond; length as m-dashNC(Me)double bond; length as m-dashNH}] 3a, also by X-ray diffraction analysis. Compounds 3a and 3b were also characterized by UV-Vis absorption and luminescence emission spectroscopies. Emission quantum yields of ca. 3 x 10(-3) were obtained in dichloromethane solution, and luminescence lifetimes are in the order of the tens of nanoseconds. Both compounds also exhibited luminescence in solid state (polystyrene matrix), with luminescence lifetimes in the order of hundreds of nanoseconds. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.05.036
• 作为产物：
  描述：

  对氯苯甲腈 、 bis(acetonitrile)dichloroplatinum(II) 以 甲苯 为溶剂， 以82%的产率得到trans-[PtCl₂(NCC₆H₄-4-Cl)₂]
  参考文献：
  名称：

  一个新的发光化合物家族：表现出pH依赖的室温发光的亚氨基铂（II）铂盐。

  摘要：

  通过适当的反式-[PtCl2（ [RCN）2]与4当量的am PhC（NH）NHPh给出2-4和2当量的盐PhC（= NH）NHPh.HCl。我们还通过MeOSO2CF3与4的双烷基化反应合成了[Pt {NH = C（Ph）N（Me）C（Ph）= NPh} 2] [CF3SO3] 2（5），该模型模拟了双质子化形式4的配合物的特征在于1H，13C NMR和IR光谱，FAB-MS以及C，H，N元素分析。4.2CH2Cl2的X射线晶体学能够确认具有几乎平面的亚氨基嘧啶配体的金属中心的方形平面配位几何形状，而在5.2CHCl3中，金属环的平面性消失并且中心N原子被sp3-杂化。酰亚胺基酰胺基配合物代表了新的基于Pt（II）的发光配合物家族，它们在室温下在溶液和固态下均能发射，发射量子产率范围为3.7 x 10（-4）至6.2 x 10 （-2）在甲醇溶液中；发射强度与pH有关，在低pH时淬灭。紫

  DOI：

  10.1039/b602083f

文献信息

• Four‐Center Nodes: Supramolecular Synthons Based on Cyclic Halogen Bonding
  作者：Mariya A. Kryukova、Daniil M. Ivanov、Mikhail A. Kinzhalov、Alexander S. Novikov、Andrey S. Smirnov、Nadezhda A. Bokach、Vadim Yu. Kukushkin

  DOI：10.1002/chem.201902264

  日期：2019.10.28

  trans-[PdBr2 (CNC6 H4 -4-X')2 ] (X'=Br, I) and nitrile trans-[PtX2 (NCC6 H4 -4-X')2 ] (X/X'=Cl/Cl, Cl/Br, Br/Cl, Br/Br) complexes exhibit similar structural motif in the solid state, which is determined by hitherto unreported four-center nodes formed by cyclic halogen bonding. Each node is built up by four Type II C-X'⋅⋅⋅X-M halogen-bonding contacts and include one Type I M-X⋅⋅⋅X-M interaction, thus giving

  异氰酸酯反式-[PdBr2（CNC6 H4 -4-X'）2]（X'= Br，I）和腈反式-[PtX2（NCC6 H4 -4-X'）2]（X / X'= Cl / Cl，Cl / Br，Br / Cl，Br / Br）配合物在固态下表现出相似的结构基序，这是由迄今未报告的由环状卤素键形成的四中心节点决定的。每个节点由四个II型C-X'·⋅·XM卤素键触点建立，并包括一个I型MX⋅·⋅XM相互作用，因此具有菱形结构。这些节点充当超分子合成子，形成2D层或通过卤素键连接的分子双链。DFT计算结果表明，节点内的所有接触都是典型的非共价相互作用，其估计强度在0.6-2.9 kcal mol-1范围内。