[(N-methyl-4,4'-bipyridinium)ZnI3] | 1238138-82-3

• 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: [(N-methyl-4,4'-bipyridinium)ZnI3]
• 英文别名: [ZnI3(N-methyl-4,4'-bipyridinium)]
• CAS: 1238138-82-3
• 化学式: C₁₁H₁₁I₃N₂Zn
• 分子量: 617.325
• InChiKey: NWEFHCXCLYSMTM-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N-methyl-4,4'-bipyridinium chloride monohydrate 、 zinc(II) iodide 以 水 为溶剂， 以53%的产率得到[(N-methyl-4,4'-bipyridinium)ZnI3]
  参考文献：
  名称：

  Crystal structures and visible-light excited photoluminescence of N-methyl-4,4′-bipyridinium chloride and its Zn(II) and Cd(II) complexes

  摘要：

  A new approach has been used to synthesize MQ(+) ligand (MQ(+) = N-methyl-4,4'-bipyridinium) by the reaction of 4,4'-bipyridine and chloroacetic acid, and the structure of (MQ)Cl center dot H2O (1) was first determined. Three new complexes containing MQ(+), (MQ)CdI3 (2). (MQ)ZnI3 (3), and [(MQ)znCl(1.53)I(1.47)](2)(MQ) ZnCl1.68I1.32 (4). were successfully obtained via a solution or hydrothermal method by reaction of MI2 (M = Cd, Zn) with 1, and each of which exhibits an isolated structure, with each metal atom coordinated by one MQ ligand and three terminal halogen atoms. Compounds 1-4 all display photoluminescence in the visible region under visible-light excitation, and the origins of the emissions have been assigned to ILCT for 1 and the combination of ILCT and LLCT for 2-4. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.05.020

文献信息

• Photochromic Metal Complexes of <i>N</i>-Methyl-4,4′-Bipyridinium: Mechanism and Influence of Halogen Atoms
  作者：Xiang-Ying Lv、Ming-Sheng Wang、Chen Yang、Guan-E Wang、Shuai-Hua Wang、Rong-Guang Lin、Guo-Cong Guo

  DOI：10.1021/ic2020868

  日期：2012.4.2

  Photochromism of N-methyl-4,4'-bipyridinium (MQ(+)) salts and their metal complexes has never been reported. A series of MQ(+) coordinated halozinc complexes [(MQ)ZnX3] (X = Cl (1), Br (2), I (3)) and [(MQ)ZnCl1.53I1.47](2)(MQ)ZnCl1.68I1.32 (4), with better physicochemical stability than halide salts of the MQ(+) cation, have been found to exhibit different photochromic behaviors. Compounds 1-3 are isostructural, but only 1 and 2 show photochromism. Introduction of partial Cl atoms to nonphotochromic compound 3 yields compound 4, which also displays photochromism. The photochromic response of 1, 2, and 4 indicates the presence of their long-lived charge separation states, which originate from X -> MQ(+) electron transfer according to ESR and XPS measurements. Studies on the influence of different coordinated halogen atoms demonstrate that the Cl atom may be a more suitable electron donor than Br and I atoms to design redox photochromic metal complexes.