4,4’-(octa-1,3,5,7-tetrayne-1,8-diyl)dianiline | 1449384-42-2

• 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: 4,4’-(octa-1,3,5,7-tetrayne-1,8-diyl)dianiline
• 英文别名: 4-[8-(4-Aminophenyl)octa-1,3,5,7-tetraynyl]aniline；4-[8-(4-aminophenyl)octa-1,3,5,7-tetraynyl]aniline
• CAS: 1449384-42-2
• 化学式: C₂₀H₁₂N₂
• 分子量: 280.329
• InChiKey: SGHHOEWHXYICSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-乙炔基苯胺 在 哌啶 、 四甲基乙二胺 、 氧气 、 copper(II) acetate monohydrate 、 铜 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 15.0h， 生成 4,4’-(octa-1,3,5,7-tetrayne-1,8-diyl)dianiline
  参考文献：
  名称：

  一种偶氮芳香化合物及其应用和一种用于增强拉曼散射信号的试剂

  摘要：

  本发明涉及分析化学领域，公开了一种偶氮芳香化合物及其应用和一种用于增强拉曼散射信号的试剂，该化合物具有式(I)或式(II)所示的结构。本发明提供的偶氮芳香化合物在用于增强拉曼散射信号时，灵敏度提高了2‑4个数量级以上，并且具有10个不同光谱带的频率可调性。式(I)：式(II)：

  公开号：

  CN114685311A

文献信息

• Single-Molecule Conductance of Functionalized Oligoynes: Length Dependence and Junction Evolution
  作者：Pavel Moreno-García、Murat Gulcur、David Zsolt Manrique、Thomas Pope、Wenjing Hong、Veerabhadrarao Kaliginedi、Cancan Huang、Andrei S. Batsanov、Martin R. Bryce、Colin Lambert、Thomas Wandlowski

  DOI：10.1021/ja4015293

  日期：2013.8.21

  We report a combined experimental and theoretical investigation of the length dependence and anchor group dependence of the electrical conductance of a series of oligoyne molecular wires in single-molecule junctions with gold contacts. Experimentally, we focus on the synthesis and properties of diaryloligoynes with n = 1, 2, and 4 triple bonds and the anchor dihydrobenzo[b]thiophene (BT). For comparison, we also explored the aurophilic anchor group cyano (CN), amino (NH2), thiol (SH), and 4-pyridyl (PY). Scanning tunneling microscopy break junction (STM-BJ) and mechanically controllable break junction (MCBJ) techniques are employed to investigate single-molecule conductance characteristics. The BT moiety is superior as compared to traditional anchoring groups investigated so far. BT-terminated oligoynes display a 100% probability of junction formation and possess conductance values which are the highest of the oligoynes studied and, moreover, are higher than other conjugated molecular wires of similar length. Density functional theory (DFT)-based calculations are reported for oligoynes with n = 1-4 triple bonds. Complete conductance traces and conductance distributions are computed for each family of molecules. The sliding of the anchor groups leads to oscillations in both the electrical conductance and the binding energies of the studied molecular wires. In agreement with experimental results, BT-terminated oligoynes are predicted to have a high electrical conductance. The experimental attenuation constants beta(H) range between 1.7 nm(-1) (CN) and 3.2 nm(-1) (SH) and show the following trend: beta(H)(CN) < beta(H)(NH2) < beta(H)(BT) < beta(H)(PY) approximate to beta(H)(SH). DFT-based calculations yield lower values, which range between 0.4 nm(-1) (CN) and 2.2 nm(-1) (PY).
• OPTICAL SUPER-MULTIPLEXING BY POLYYNES
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20200199657A1

  公开（公告）日：2020-06-25

  A method for optical super-multiplexing using polyynes to provide enhanced images from stimulated Raman microscopy is disclosed. In some exemplary embodiments, the polyynes are organelle-targeted or spectral barcoded. Imaging can be enhanced by using the polyynes to image whole live cells or specific organelles within live cells. The polyynes can also be used in optical data storage (i.e., encoding) and identification (i.e., decoding) applications.