[2,2':6',2''-三联吡啶]-4,4',4''-三羧酸三乙酯 | 1197995-33-7

• 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
• 中文名称: [2,2':6',2''-三联吡啶]-4,4',4''-三羧酸三乙酯
• 中文别名: 4,4',4''-三乙氧基甲酰基-2,2':6',2''-三联吡啶；4,4',4''-三乙氧羰基-2,2':6',2''-三联吡啶
• 英文名称: 4,4',4''-triethoxycarbonyl-2,2':6',2''-terpyridine
• 英文别名: Triethyl [2,2':6',2''-terpyridine]-4,4',4''-tricarboxylate；ethyl 2,6-bis(4-ethoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
• CAS: 1197995-33-7
• 化学式: C₂₄H₂₃N₃O₆
• 分子量: 449.463
• InChiKey: FYAQSXVQMINJAC-UHFFFAOYSA-N

物化性质

• 沸点：
  626.2±55.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [2,2':6',2''-三联吡啶]-4,4',4''-三羧酸三乙酯 、 以 N,N-二甲基甲酰胺 为溶剂， 以0.5 g的产率得到
  参考文献：
  名称：

  광전 변환 소자, 색소 증감 태양 전지 및 이에 이용하는 금속 착체 색소

  摘要：

  提供具有优异耐久性和光电转换效率的光电转换器件，包括染料增益太阳能电池和金属络合染料。该光电转换器件具有具有挑战性的支撑体，包括感光层，其中包括电解质，带有包含金属络合染料的半导体颗粒的感光层，以及包含电解质的电荷传输层和对电极，染料增益太阳能电池和金属络合染料。 M（LA）（LD）（Z）·（CI） 公式（I）中，M代表金属原子，Z代表单价的取代基，LA代表三价的取代基，如公式（AL-1）所示，LD代表二价的取代基，如公式（DL-1）所示，CI表示中和电荷所需的反离子。 Za、Zb和Zc代表形成5或6元环的非金属原子团。但是，Za至Zc形成的环中至少有一个具有酸性基团。 m1为0~3的整数，m2为1~4，n1为1~4，l1为0~3。L表示芳环基，烷基环基或芳基烷基环基，R表示氨基，烷基氨基，芳基氨基，杂环芳基氨基，卤素原子，烷基，烷基环基，羟基，芳基氧基，烷基硫氧基或芳基硫氧基。

  公开号：

  KR20150129778A

文献信息

• Osmium sensitizer with enhanced spin–orbit coupling for panchromatic dye-sensitized solar cells
  作者：Ratna Juwita、Jian-You Lin、Shi-Jie Lin、Yu-Chi Liu、Tsung-Yu Wu、Yu-Ming Feng、Chia-Yuan Chen、Hui-Hsu Gavin Tsai、Chun-Geuy Wu

  DOI：10.1039/c9ta13782c

  日期：——

  Low-lying triplet metal-to-ligand charge transfer (3MLCT) transitions of osmium complexes induced by spin–orbit coupling (SOC) are promising for extending the photocurrent response in dye-sensitized solar cells. In this study, we present a new osmium complex (CYC-33O), incorporating a 2-thiohexyl-3,4-ethylenedioxythiophene functionalized bipyridyl ancillary ligand to red-shift the absorption and enhance

  自旋轨道耦合（SOC）诱导的complex配合物的低三重态金属到配体的电荷转移（3 MLCT）跃迁有望扩大染料敏化太阳能电池的光电流响应。在这项研究中，我们提出了一种新的complex络合物（CYC-33O），其中掺入了2-硫代己基-3,4-乙撑二氧噻吩官能化的联吡啶基辅助配体，以红移吸收并增强单重态和三重态金属与配体的吸收电荷转移（1 MLCT和3 MLCT）过渡。随时间变化的密度泛函理论（TDDFT）计算表明，CYC-33O的增强的1 MLCT和3 MLCT跃迁主要是从到4,4'，4''-三羧基-2,2'：6'，2''-吡啶吡啶的配体，增加了CYC-33O和TiO 2之间的异质电子转移。用CYC-33O敏化的器件在1000 nm以上具有全色转换，产生的光电流密度为19.38 mA cm -2，远高于基于钌类似物（CYC-33R）和模型and络合物（Os -3）敏化剂。
• Panchromatic photosensitizers and dye-sensitized solar cell using the same
  申请人：Chi Yun

  公开号：US08759521B2

  公开（公告）日：2014-06-24

  Panchromatic photosensitizers having a Formula of ML1L2X were synthesized, wherein M represents ruthenium atom; X represents a monodentate anion; L1 is heterocyclic bidentate ligand having one of formulae listed below: wherein G2 has one of formulae listed below: and L2 is a tridentate ligand having a formula listed below: Substituents R1, R2, R3 and R4 of L1 are the same or different and are selected from the group consisting of hydrogen, halogen, amino-group alkyl, alkoxy, alkylthio, alkylamino, halogenated alkyl, phenyl and substituted phenyl group. Substituents R5, R6 and R7 of L2 are the same or different and are selected from the group consisting of carboxylic, carboxylate, sulfonic acid, sulfonate, phosphoric acid and phosphate. The above-mentioned photosensitizers are suitable to use as sensitizers for fabrication of high efficiency dye-sensitized solar cell.

  合成了具有ML1L2X公式的全光谱光敏剂，其中M代表钌原子；X代表单齿配体阴离子；L1是具有以下化学式之一的杂环双齿配体： 其中G2具有以下化学式之一： L2是具有以下化学式的三齿配体： L1的取代基R1、R2、R3和R4相同或不同，选择自氢、卤素、氨基烷基、烷氧基、烷硫基、烷基氨基、卤代烷基、苯基和取代苯基组成的群体中。L2的取代基R5、R6和R7相同或不同，选择自羧酸、羧酸盐、磺酸、磺酸盐、磷酸和磷酸盐组成的群体中。上述光敏剂适用于制备高效率染料敏化太阳能电池的敏化剂。
• Bis-tridentate Ru(<scp>ii</scp>) sensitizers with a spatially encumbered 2,6-dipyrazolylpyridine ancillary ligand for dye-sensitized solar cells
  作者：Ting-Kuang Chang、Yun Chi

  DOI：10.1039/c7ra07379h

  日期：——

  makes them the better DSC sensitizers. After appropriate selection of C3F7 substituents, the sensitizer coded TF-tBu_C3F7 showed the highest overall efficiencies of JSC = 18.47 mA cm−2, VOC = 767 mV, FF = 0.71 and PCE = 10.05% under simulated one sun irradiation, due to the fine balance between dye loading and reduced charge recombination. The corresponding enlarged solar cell module with an active area

  双三齿Ru（II）敏化剂，具有4,4'，4'-三羧基-2,2'：6'，2''-吡啶吡啶（即tctpy）和2,6-二吡唑基吡啶辅助配体中心吡啶基单元上的5-十二烷基噻吩-2-基或叔丁基取代基和四个独特的全氟烷基片段（例如CF 3，C 3 F 7，C 5 F 11和C 7 F 15）在末端吡唑基位点进行了设计，合成并用作制造染料敏化太阳能电池的敏化剂。所有这些敏化剂均表现出合适的光学性质和电化学特性。此外，尽管具有叔丁基取代基的TF- t Bu系列增敏剂与溶液中被其5-十二烷基噻吩-2-基取代的对应物（即TF-2'系列）相比具有更低的吸收消光系数，但它们的分子尺寸较小允许较大的染料负载在TiO 2光电阳极上，这抵消了较差的光学响应，并使它们成为更好的DSC敏化剂。后的C的适当选择3 ˚F 7取代基中，敏化剂经译码TF-吨Bu_C 3 ˚F 7表明的最高总效率Ĵ SC =18.47毫安厘米-2，V
• PANCHROMATIC PHOTOSENSITIZERS AND DYE-SENSITIZED SOLAR CELL USING THE SAME
  申请人：CHI Yun

  公开号：US20120111410A1

  公开（公告）日：2012-05-10

  Panchromatic photo sensitizers having a Formula of ML 1 L 2 X were synthesized, wherein M represents ruthenium atom; X represents a monodentate anion; L 1 is heterocyclic bidentate ligand having one of formulae listed below: wherein G 2 has one of formulae listed below: and L 2 is a tridentate ligand having a formula listed below: Substituents R 1 , R 2 , R 3 and R 4 of L 1 are the same or different and are selected from the group consisting of hydrogen, halogens, amino-group alkyl, alkoxy, alkylthio, alkylamino, halogenated alkyl, phenyl and substituted phenyl group. Substituents R 5 , R 6 and R 7 of L 2 are the same or different and are selected from the group consisting of carboxylic acid and counter anion thereof, sulfonic acid and counter anion thereof, phosphoric acid and counter anion thereof. The above-mentioned photosensitizers are suitable to use as sensitizers for fabrication of high efficiency dye-sensitized solar cell.

  合成了具有ML1L2X公式的全光谱光敏剂，其中M代表钌原子；X代表单齿配位离子；L1是具有以下一种式子的杂环双齿配体：其中G2具有以下一种式子：而L2是具有以下式子的三齿配体：L1的取代基R1、R2、R3和R4相同或不同，选自氢、卤素、氨基烷基、烷氧基、烷硫基、烷基氨基、卤代烷基、苯基和取代苯基；L2的取代基R5、R6和R7相同或不同，选自羧酸及其对应的反离子、磺酸及其对应的反离子、磷酸及其对应的反离子。上述光敏剂适用于制备高效率染料敏化太阳能电池的敏化剂。
• PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND METAL COMPLEX DYE USED IN SAME
  申请人：FUJIFILM CORPORATION

  公开号：US20160042875A1

  公开（公告）日：2016-02-11

  A photoelectric conversion element has a conductive support, a photoreceptor layer containing an electrolyte, a charge carrier layer containing an electrolyte and a counter electrode, and the photoreceptor layer has semiconductor particles on which a metal complex dye represented by Formula (I) is carried. M 1 (LA)(LD)(Z 1 ).CI  Formula (I) M 1 represents a metal atom; Z 1 represents a monodentate ligand; LA represents a tridentate ligand represented by Formula (AL-1); LD represents a bidentate ligand represented by Formula (DL-1); and CI represents a counterion necessary for neutralizing the charge.