3-fluoro-4'-(2H-tetrazol-5-yl)biphenyl-4-carboxylic acid | 1433843-72-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-fluoro-4'-(2H-tetrazol-5-yl)biphenyl-4-carboxylic acid
• 英文别名: 3-fluoro-4′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-carboxylic acid；2-fluoro-4-[4-(2H-tetrazol-5-yl)phenyl]benzoic acid
• CAS: 1433843-72-1
• 化学式: C₁₄H₉FN₄O₂
• 分子量: 284.249
• InChiKey: LDMMGGDYCCGKIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  yttrium(lll) nitrate hexahydrate 、 3-fluoro-4'-(2H-tetrazol-5-yl)biphenyl-4-carboxylic acid 、 N,N-二甲基甲酰胺 以 乙醇 、 氯苯 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO₂ Adsorption Energetics and Uptake

  摘要：

  A series of fcu-MOFs based on rare-earth (RE) metals and linear fluorinated/nonfluorinated, homo/hetero-functional ligands were targeted and synthesized. This particular fcu-MOF platform was selected because of its unique structural characteristics combined with the ability/potential to dictate and regulate its chemical properties (e.g., tuning of the electron-rich RE metal ions and high localized charge density, a property arising from the proximal positioning of polarizing tetrazolate moieties and fluoro-groups that decorate the exposed inner surfaces of the confined conical cavities). These features permitted a systematic gas sorption study to evaluate/elucidate the effects of distinctive parameters on CO2-MOF sorption energetics. Our study supports the importance of the synergistic effect of exposed open metal sites and proximal highly localized charge density toward materials with enhanced CO2 sorption energetics.

  DOI：

  10.1021/ja401429x

文献信息

• PHOTOLUMINESCENCE-BASED DETECTION OF ACID GASES VIA RARE EARTH METAL-ORGANIC FRAMEWORKS
  申请人：National Technology & Engineering Solutions of Sandia, LLC

  公开号：US20210231628A1

  公开（公告）日：2021-07-29

  The present invention relates to a metal-organic framework composition, as well as constructs and methods thereof. In one particular example, the composition is employed to detect the presence of an acid gas.

  本发明涉及一种金属有机框架组合物，以及其构造和方法。在一个特定的例子中，该组合物被用于检测酸性气体的存在。
• Photoluminescence and Hydrothermal Stability Correlations via Isoreticular/Structural fcu Rare-Earth Organic Frameworks Platform
  作者：Yu-Feng Zhang、Dong-Xu Xue、Zong-Hui Zhang、Qing Li、Ziwei Gao

  DOI：10.1021/acs.cgd.6b01880

  日期：2017.3.1

  phosphor in single phase fabricated from a sole Eu3+ ion and sole organic linker. 2-Eu however does not exhibit such features and stays mostly unchanged upon the variation of excitation light. The above luminescence features were correlated by determination of the triplet state T1 energy of both L1 and L2 linkers via the phosphorescence at 77 K of 1-Gd and 2-Gd. Lastly, water resistance of the series of

  由于发现了高对称性的稀土六核二级建筑单元，可控制的稀土有机框架（REOF）的设计和组装变得可行。随后，本文通过溶剂热反应和网状化学成功地制备了一系列的等网状/结构性fcu REOFs平台。确认晶体结构信息和永久孔隙后，对光致发光和水热稳定性进行了深入研究。结果，在一系列REOF中观察到了独特而有趣的发光行为。1-Dy和2-Dy主要显示以配体为中心的发射，而1-Eu和2-Eu主要以金属为中心的发射。更有趣的是，1-Eu显示出与激发有关的发光，从而生成了由唯一的Eu 3+离子和唯一的有机连接基制成的单相白色发光磷光体的第一个示例。然而2-Eu不表现出这样的特征，并且在激发光的变化时基本上保持不变。通过确定在77 K处1-Gd和2-Gd的L1和L2接头的三重态T 1能量，可以确定上述发光特征之间的相关性。最后，评估了一系列fcu REOF的耐水性，发现1-Dy 由较小的离子半径和较短的有机连接基
• TUNABLE RARE-EARTH FCU-METAL-ORGANIC FRAMEWORKS
  申请人：Xue Dong-Xu

  公开号：US20150065737A1

  公开（公告）日：2015-03-05

  Metal organic framework compostions can have a face centered cubic structure.

  金属有机框架化合物可以具有面心立方结构。
• Tunable rare-earth fcu-metal-organic frameworks
  申请人：King Abdullah University of Science and Technology

  公开号：US10253048B2

  公开（公告）日：2019-04-09

  Metal organic framework compositions can have a face centered cubic structure.

  金属有机框架组合物可以具有面心立方结构。
• Tunable metal-organic framework compositions and methods thereof
  申请人：National Technology & Engineering Solutions of Sandia, LLC

  公开号：US11007516B1

  公开（公告）日：2021-05-18

  The present invention relates to a metal-organic framework composition, as well as constructs and methods thereof. In one particular example, the composition provides a platform having an emission signal in the deep red to near-infrared (NIR) region.

  本发明涉及一种金属有机框架组合物及其构造和方法。在一个特定的例子中，该组合物提供了一种在深红到近红外（NIR）区域具有发射信号的平台。