[Pt(3-methyl-5-(2-pyridyl)pyrazole(1-))2] | 842123-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Pt(3-methyl-5-(2-pyridyl)pyrazole(1-))2]
• 英文别名: 2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum(2+)
• CAS: 842123-38-0；874904-89-9；1239344-60-5
• 化学式: C₁₈H₁₆N₆Pt
• 分子量: 511.445
• InChiKey: USLJYBFARQVBSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  53.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  dichlorobis(dimethyl sulfoxide)platinum(II) 、 2-(5-甲基-1H-3-吡唑基)吡啶 在 NaH 作用下， 以 四氢呋喃 为溶剂， 以65%的产率得到[Pt(3-methyl-5-(2-pyridyl)pyrazole(1-))2]
  参考文献：
  名称：

  Platinum(II) Complexes with Pyridyl Azolate-Based Chelates:  Synthesis, Structural Characterization, and Tuning of Photo- and Electrophosphorescence

  摘要：

  A new series of luminescent platinum(II) azolate complexes with a formula of [Pt(N Lambda N)(2)], in which N Lambda N = mppz (1), bppz (2a), bzpz (2b), bmpz (2c), bqpz (2d), fppz (3a), hppz (3b), bptz (4), hptz (5), were synthesized, and their photophyscial properties were examined. Single-crystal X-ray diffraction studies of 2c: and 3b revealed a planar molecular geometry, in which the N Lambda N chelates adopt a trans configuration and show notable interligand C-(HN)-N-... hydrogen bonding within the complex. Interesting intermolecular interactions were observed in the solid state. Complex 2c formed a slipped-stack structure with a (PtPt)-Pt-... separation distance of 6.432 angstrom, while complex 3b showed a columnar stacking with the molecules oriented in an alternating order in relation to the chain axis, giving a much reduced (PtPt)-Pt-... distance of 3.442 angstrom. The lowest absorption band for all complexes revealed strong state mixings between the singlet and triplet (MLCT and intraligand pi pi*) manifolds. Complexes 1 and 2 showed mixed (MLCT)-M-3 and (3)pi pi phosphorescence in fluid solution. While radiationless deactivation was apparently dominant for complxes 3-5 in solution, resulting in rather weak emission, strong phosphorescence was observed in the room-temperature solid state with the peak wavelength being significantly red shifted compared to that in solution. The emission nature has been tentatively assigned to be (MMLCT)-M-3 in character. OLED devices with a multilayer configuration of ITO/NPB/CBP:2a/BCP/Alq(3)/LiF/Al were successfully fabricated using a CBP layer doped with various amount of 2a, ranging from 6 to 100%, as the emitting layer. A substantial red shift with increasing doping concentrations was observed in electroluminescence. With a neat film of 2a, the device showed a green emission with lambda(max) at 556 nm and an external QE of similar to 1.6% at a driving current of 20 mA. Similarly, for the device using a neat film of 3a, an electroluminescence centered at 616 nm with a slightly reduced external QE of similar to 2.1% was recorded. Aggregation of platinum(II) complexes in the solid state was proposed to account for the large red-shift in electroluminescence.

  DOI：

  10.1021/ic051393b

文献信息

• Pt complexes as phosphorescent emitters in the fabrication of organic light emitting diodes
  申请人：National Tsing Hua University

  公开号：US07002013B1

  公开（公告）日：2006-02-21

  A series of Pt(II) complexes having the following formula are disclosed: X1 and X2 independently are C or N, X1 can also locate at another position of the hexagonal ring, when X1 is N; R1 is H, C1–C8 alkyl, or C1–C4 perfluoroalkyl, R2 is H, R1 and R2 together are C4–C8 alkylene, or R1 and R2 together are bridged carbocyclic C4–C12 alkylene, when X2 is C; R1 is H, C1–C8 alkyl, or C1–C4 perfluoroalkyl, and R2 is omitted, when X2 is N; R7 is H or methyl, and R8 is omitted, when X1 is N; R7 is H or methyl, R8 is H or methyl, or R7 and R8 together are when X1 is C.

  揭示了具有以下公式的一系列Pt(II)络合物：X1和X2独立地是C或N，当X1为N时，X1也可以位于六角环的另一个位置；R1是H，C1-C8烷基或C1-C4全氟烷基，R2是H，R1和R2一起是C4-C8烷基，或者R1和R2一起是桥接的碳环C4-C12烷基，当X2为C时；R1是H，C1-C8烷基或C1-C4全氟烷基，而R2被省略，当X2为N时；R7是H或甲基，R8被省略，当X1为N时；R7是H或甲基，R8是H或甲基，或者R7和R8一起是当X1为C时。
• Synthesis and characterisation of palladium(II) and platinum(II) compounds containing pyrazole-derived ligands: crystal structure of [PdCl2(HL1)] (HL1=3-phenyl-5-(2-pyridyl)pyrazole)
  作者：Josë Antonio Perez、Josefina Pons、Xavier Solans、Mercè Font-Bardia、Josep Ros

  DOI：10.1016/j.ica.2004.07.064

  日期：2005.2

  the ligands 3-phenyl-5-(2-pyridyl)pyrazole ( HL 1 ), 3,5-bis(2-pyridyl)pyrazole ( HL 2 ), 3-methyl-5-(2-pyridyl)pyrazole ( HL 3 ) and 3-methyl-5-phenylpyrazole ( HL 4 ) with [MCl 2 (CH 3 CN) 2 ] (M = Pd(II), Pt(II)) or [PdCl 2 (cod)] gives complexes with stoichiometry [PdCl 2 (HL) 2 ] (HL = HL 1 , HL 2 , HL 3 ), [Pt(L) 2 ] (L = L 1 , L 2 , L 3 ) and [MCl 2 (HL 4 ) 2 ] (M = Pd(II), Pt(II)). The new complexes

  摘要配体3-苯基-5-（2-吡啶基）吡唑（HL 1），3,5-双（2-吡啶基）吡唑（HL 2），3-甲基-5-（2-吡啶基）吡唑的反应（HL 3）和3-甲基-5-苯基吡唑（HL 4）与[MCl 2（CH 3 CN）2]（M = Pd（II），Pt（II））或[PdCl 2（cod）]形成络合物化学计量比为[PdCl 2（HL）2]（HL = HL 1，HL 2，HL 3），[Pt（L）2]（L = L 1，L 2，L 3）和[MCl 2（HL 4） 2]（M ＝ Pd（II），Pt（II））。通过元素分析，电导率测量，红外光谱和1 H NMR光谱对新配合物进行表征。[PdCl 2（HL 1）]的晶体和分子结构通过X射线衍射解析，并且由单体顺式-[PdCl 2（HL 1）]分子组成。钯中心具有典型的正方形平面几何形状，并具有轻微的四面体形变。四配位金属原子键合到一个吡啶氮上 一个吡唑氮和两个氯配体以顺式排列。配体HL