CuBr-bpy | 113720-78-8

• 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: CuBr-bpy
• 英文别名: CuBr-4,4'-bipyridine；[CuBr(bpy)]n；(3).infin.[CuBr(4,4'-bipyridine)]；[CuBr(4,4'-dipyridyl)]；[Cu(4,4'-bipyridine)Br]；bromocopper;4-pyridin-4-ylpyridine
• CAS: 113720-78-8
• 化学式: Br*C₁₀H₈N₂*Cu
• 分子量: 299.637
• InChiKey: UBYXOTVLQSMROA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.85
• 重原子数：
  14.0
• 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：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶 、 copper(ll) bromide 以 水 为溶剂， 以99%的产率得到CuBr-bpy
  参考文献：
  名称：

  Lu, Jack Y.; Cabrera, Brenda R.; Wang, Ru-Ji, Inorganic Chemistry, 1999, vol. 38, # 20, p. 4608 - 4611

  摘要：

  DOI：

文献信息

• Luminescence properties of “double-stranded staircase” copper(i) halide coordination polymers with N-containing ligands
  作者：Jiri Pospisil、Inke Jess、Christian Näther、Marek Necas、Petr Taborsky

  DOI：10.1039/c0nj00809e

  日期：——

  A set of CuIXL coordination polymers (X = Cl, Br, I; L = derivatives of pyrazine and bipyridine) with double-stranded staircase structures was analyzed by X-ray crystallography and luminescence spectroscopy to find a relationship between the structure and luminescence properties of the polymers. Our measurements have proved that luminescence emission wavelengths varied between 500–750 nm, after the polymers were irradiated by light with a wavelength of 370 nm. Although each coordination polymer has shown different emission maximum, we observed several interesting trends related to the structure of the compounds. There is a clear correlation between the emission maxima and the halide size and/or Cu–X distance, respectively. On the other hand, the substitution of the ligand L (pyrazine derivatives, 4,4′-bipyridine) has no significant contribution to the emission spectra. This observation supports the theory that the halide to metal charge transfer (XMCT) plays a key role in the photoluminescence of staircase polymers.

  我们通过 X 射线晶体学和发光光谱学分析了一组具有双链阶梯结构的 CuIXL 配位聚合物（X = Cl、Br、I；L = 吡嗪和双吡啶的衍生物），以找到聚合物结构与发光特性之间的关系。测量结果表明，在波长为 370 纳米的光照射下，聚合物的发光波长在 500-750 纳米之间变化。虽然每种配位聚合物的发射最大值各不相同，但我们观察到了几种与化合物结构有关的有趣趋势。发射最大值分别与卤化物尺寸和/或 CuâX 间距有明显的相关性。另一方面，配体 L 的替换（吡嗪衍生物、4,4â²-联吡啶）对发射光谱没有明显影响。这一观察结果支持了卤化物到金属的电荷转移（XMCT）在阶梯聚合物的光致发光中起关键作用的理论。
• Thermal Enhancement of Luminescence for Negative Thermal Expansion in Molecular Materials
  作者：Liang Chen、Xin Chen、Rui Ma、Kun Lin、Qiang Li、Jian-Ping Lang、Chunyu Liu、Kenichi Kato、Ling Huang、Xianran Xing

  DOI：10.1021/jacs.2c04316

  日期：2022.8.3

  Overcoming thermal quenching is an essential issue in the practical application of luminescent materials. Herein, we found that negative thermal expansion (NTE) can achieve the thermal enhancement of luminescence in molecular materials based on three metal–organic frameworks CuX-bpy (X = Cl, Br, I; bpy = 4,4′-bipyridine). All complexes exhibit NTE on the c-axis, and the strongest NTE leads to a contraction

  克服热猝灭是发光材料实际应用中的一个重要问题。在这里，我们发现负热膨胀（NTE）可以实现基于三种金属有机框架CuX-bpy（X = Cl，Br，I；bpy = 4,4'-联吡啶）的分子材料中发光的热增强。所有配合物都在c上显示 NTE- 轴，最强的 NTE 导致 CuCl-bpy 中 Cu...Cu 距离的收缩，这进一步增强了发光发射。这种现象表明存在热增强的电荷转移。此外，通过对X射线光电子能谱、X射线吸收近边结构和密度泛函理论计算的综合研究，研究了铜的不同价态导致的电荷转移差异的起源。该研究提供了一种通过 NTE 调节发光热增强的新方法。
• Ligand-Substitution-Induced Single-Crystal to Single-Crystal Transformations in a Redox-Versatile Cu(II) MOF toward Smartphone-Based Colorimetric Detection of Iodide
  作者：Nippich Kaeosamut、Yothin Chimupala、Pattama Yanu、Suttipong Wannapaiboon、Nithiwat Sammawipawekul、Sahadsawat Tonkaew、Jaroon Jakmunee、Saranphong Yimklan

  DOI：10.1021/acs.inorgchem.2c03579

  日期：2022.12.5

  microwave-heating technique. Phase formation of the Cu-MOF 1a depended on counter-anions. The transformations can be triggered by halides to corresponding coordination polymers through both non-redox and redox-associated pathways. The changes in the local structure and oxidation state of copper during the transformation were studied by ex situ and in situ synchrotron X-ray absorption spectroscopies. The selectivity

  新型三维 Cu(II) 金属有机骨架的制备，[Cu 4 (4,4'-bipy) 3 (OH) 2 (mal) 3 ]·4H 2 O} n ( 1a ; 4,4 ′-bipy = 4,4′-联吡啶，H 2 mal = 丙二酸；P 2 1 / m），它经历了前所未有的氧化还原多功能配体取代诱导的单晶到单晶的转变，用于基于智能手机的研究了碘化物的检测。Cu-MOF 1a已通过微波加热技术轻松合成。Cu-MOF 1a的相形成取决于反阴离子。这些转变可以由卤化物触发，通过非氧化还原和氧化还原相关途径转化为相应的配位聚合物。通过非原位和原位同步加速器 X 射线吸收光谱研究了铜在转变过程中局部结构和氧化态的变化。研究了卤化物引发的转化的选择性。一项基于智能手机的碘化物比色检测研究发现，碘化物浓度在 10-1500 mg/L 范围内呈线性正比，检出限为 5 mg/L，精密度相对标准偏差为 1.9%（n =
• Coordination Polymers of Copper(I) Halides
  作者：Peter M. Graham、Robert D. Pike、Michal Sabat、Rosa D. Bailey、William T. Pennington

  DOI：10.1021/ic0005341

  日期：2000.10.1

  A total of 21 complexes of CuX (X = Cl, Br, I) with bridging Ligand (B = 4,4'-dipyridyl (Bpy), pyrazine (Pyz), quinoxaline (Quin), phenazine (Phi), 1,4-diazabicyclo[2.2.2]octane (DABCO), and hexamethylenetetramine (HMTA)) have been synthesized. The products show two stoichiometries: [CuXB] (type 1) and [(CuX)(2)B] (type 2). Both types can be obtained for B = Bpy, depending on the conditions of preparation. In these cases, the type 2 stoichiometry is the kinetic product. Type 2 complexes only are found for B = Pyz (X = I), Quin, Phz, DABCO, and HMTA. Type 1 complexes form for Pyz (X = Cl, Br). Thermogravimetic analyses of-the complexes reveal the general decomposition trend: 1 -> 2 -> [(CuX)(2)B-1/2] -> CUX. The X-ray crystal structure of [CuBr(Pyz)] (type 1) features copper atoms bridged by Br and Pyz, forming 2D sheets of fused rectangular Cu4Br2(Pyz)(2) units. The X-ray structure of [(CuI)(2)(Quin)] (type 2) shows 2D layers composed of [CU2I2](infinity) "stair step" chains which are cross-linked by Quin ligands. A total of 16 complexes of CuXL (L = P(OPh)(3)) with bridging ligand (B = those above and 1,4-dimethylpiperazine (DMP)) have also been prepared. All of these products, except those of HMTA, are of type 3 formulation, [(CuXL)2B]. The HMTA products have the formula [CuX(HMTA)], type 4. Thermal decomposition of the type 3 and 4 complexes occurs with;initial loss off, L, or both. The X-ray structures of [(CuBrL)(2)(Bpy)] and [(CuBrL)(2)(Pyz)] (type 3) reveal 1D chains formed from rhomboidal (LCu)(2)Br-2 units linked by the B ligand. The type 4 structure of [CuBrL(HMTA)] is shown by X-ray to be a simple halide-bridged dimer.
• Studies of the construction of coordination polymers using linear pyridyl-donor ligands
  作者：Stuart R Batten、John C Jeffery、Michael D Ward

  DOI：10.1016/s0020-1693(99)00203-0

  日期：1999.9

  The synthesis and structural characterisation of [Cu(4,4'-bipyridine)X], X = Br (1), I (2), [Cu(bpe)(2)](BF(4)). MeCN (3), bpe = 1,2-bis(4-pyridyl)ethene, [Ag(bpp)](NO(3)) (4), bpp = 1,3-bis(bpyridyl)propane, and [H(2)bpeb](NO(3))(2) (5), bpeb = 1,4-bis[2-(4-pyridyl)ethenyl]benzene, are reported. Compounds 1 and 2 contain Cu(2)X(2) dimers bridged by 4,4'-bipyridine ligands into (6,3) sheets which display inclined 2D interpenetration. Five interpenetrating diamondoid networks are seen in the structure of 3, while 4 is composed of sinusoidal Ag(bpp) chains and NO(3)(-) counterions. Compound 5 contains protonated bpeb molecules hydrogen bonding to NO(3)(-) counterions. (C) 1999 Elsevier Science S.A. All rights reserved.