6-(1-ethyl-5-tetrazolyl)-4,4′-dimethyl-2,2'-bipyridine | 1620995-82-5

• 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: 6-(1-ethyl-5-tetrazolyl)-4,4′-dimethyl-2,2'-bipyridine
• 英文别名: 2-(1-Ethyltetrazol-5-yl)-4-methyl-6-(4-methylpyridin-2-yl)pyridine；2-(1-ethyltetrazol-5-yl)-4-methyl-6-(4-methylpyridin-2-yl)pyridine
• CAS: 1620995-82-5
• 化学式: C₁₅H₁₆N₆
• 分子量: 280.332
• InChiKey: KDQXRFIRMHQMNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  69.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氟硼酸钠 、 potassium tetrachloroplatinate(II) 、 6-(1-ethyl-5-tetrazolyl)-4,4′-dimethyl-2,2'-bipyridine 以 水 为溶剂， 反应 24.0h， 以67%的产率得到[Pt(6-(1-ethyl-5-tetrazolyl)-4,4′-dimethyl-2,2′-bipyridine)Cl](BF₄)
  参考文献：
  名称：

  Luminescent platinum(II) chloride complexes of 6-(1-alkyl-5-tetrazolyl)-4,4′-dimethyl-2,2′-bipyridine terdentate chelating ligands

  摘要：

  Two new luminescent platinum(II) chloride complexes with N-alkylated 6-(1H-5-tetrazolyl)-4,4'-dimethyl-2,2'-bipyridine (tmbpyH), [Pt(etmbpy)Cl](BF4) (1) and [Pt(htmbpy)Cl](BF4) (2) (etmbpy = 6-(1-ethyl-5-tetrazolyl)-4,4'-dimethyl-2,2'-bipyridine; htmbpy = 6-(1-hexyl-5-tetrazolyl)-4,4'-dimethyl-2,2'-bipyridine), have been prepared and characterized. Complex 1 adopts a distorted square-planar geometry and exhibits a dimeric assembly with a head-to-tail fashion and weak Pt center dot center dot center dot Pt interaction. A moderately intensive broad absorption band is displayed at 350-465 nm in CH3CN solution for 1 and 2, perhaps originating from the metal-to-ligand charge-transfer (MLCT) states mixed with some halide-to-ligand charge-transfer (XLCT) and intra-ligand (IL) pi pi* characters, as supported by their TD-DFT calculations. Complexes 1 and 2 show the photoluminescent properties in PMMA films and solid state at ambient temperature, which are influenced by the alkylation of the tetrazolyl-NH of tmbpyH. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.06.018

文献信息

• Luminescent platinum(II) chloride complexes of 6-(1-alkyl-5-tetrazolyl)-4,4′-dimethyl-2,2′-bipyridine terdentate chelating ligands
  作者：Jing-Lin Chen、Xiu-Zhen Tan、Xing-Feng Fu、Zong-Hao Guo、Jin-Yun Wang、Hua-Guang Yu、Li-Hua He、He-Rui Wen

  DOI：10.1016/j.inoche.2014.06.018

  日期：2014.8

  Two new luminescent platinum(II) chloride complexes with N-alkylated 6-(1H-5-tetrazolyl)-4,4'-dimethyl-2,2'-bipyridine (tmbpyH), [Pt(etmbpy)Cl](BF4) (1) and [Pt(htmbpy)Cl](BF4) (2) (etmbpy = 6-(1-ethyl-5-tetrazolyl)-4,4'-dimethyl-2,2'-bipyridine; htmbpy = 6-(1-hexyl-5-tetrazolyl)-4,4'-dimethyl-2,2'-bipyridine), have been prepared and characterized. Complex 1 adopts a distorted square-planar geometry and exhibits a dimeric assembly with a head-to-tail fashion and weak Pt center dot center dot center dot Pt interaction. A moderately intensive broad absorption band is displayed at 350-465 nm in CH3CN solution for 1 and 2, perhaps originating from the metal-to-ligand charge-transfer (MLCT) states mixed with some halide-to-ligand charge-transfer (XLCT) and intra-ligand (IL) pi pi* characters, as supported by their TD-DFT calculations. Complexes 1 and 2 show the photoluminescent properties in PMMA films and solid state at ambient temperature, which are influenced by the alkylation of the tetrazolyl-NH of tmbpyH. (C) 2014 Elsevier B.V. All rights reserved.