[Ag(4,4′-bipyrazolate)(PF₆)] | 1394820-86-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Ag(4,4′-bipyrazolate)(PF₆)]
• 英文别名: [Ag(H₂BPZ)(PF₆)]
• CAS: 1394820-86-0
• 化学式: Ag*C₆H₆N₄*F₆P
• 分子量: 386.973
• InChiKey: OOOTUJBYCVNNMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.36
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  六氟磷酸银 、 4,4'-BI-1H-吡唑 以 乙醇 为溶剂， 反应 3.0h， 以90%的产率得到[Ag(4,4′-bipyrazolate)(PF₆)]
  参考文献：
  名称：

  Antibacterial Action of 4,4′-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks

  摘要：

  Coupling the rigid spacer 4,4'-bipyrazole (H(2)BPZ), in its anionic or neutral form, to different silver(I) salts allowed isolation of the novel coordination polymers [Ag-2(BPZ)] (1) and [Ag(H(2)BPZ)(X)] (X = NO3, 2; ClO4, 3; BF4, 4; PF6, 5; CH3SO3, 6; CF3SO3, 7), which were fully characterized by infrared and emission spectroscopies, thermal analysis, and X-ray powder diffraction. The crystal structure of 1 consists of 2-D layers containing 1-D chains of Ag(I) ions bridged by exo-tetradentate bipyrazolato moieties. The crystal structures of the [Ag(H(2)BPZ)(X)] species 2-7 feature 1-D chains of [Ag(H(2)BPZ)] stoichiometry, along which the metal centers are bridged by exo-bidentate bipyrazolyl spacers. Contacts among adjacent chains are mediated by the counterions through nonbonding interactions involving the Ag(I) ions and the pyrazolyl N-H groups. Thermogravimetric analyses disclosed the good thermal stability of these materials, decomposing in the range 200-300 degrees C. Under UV irradiation at room temperature, all the species showed a yellow-green emission centered in the range 520-522 nm. When embedded into polyethylene disks, 1, 2, and 4-7 demonstrated their activity as topical antibacterial agents against suspensions of E. coli, P. aeruginosa, and S. aureus: complete reduction of the three bacterial strains was achieved in 24 h, reduction of S. aureus reaching ca. 90% in only 2 h. Biocidal action was expressed also by contact susceptibility tests.

  DOI：

  10.1021/ic3011635