4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl ester | 1354526-11-6

• 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: 4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl ester
• 英文别名: Dimethyl 4-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]pyridine-2,6-dicarboxylate；dimethyl 4-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]pyridine-2,6-dicarboxylate
• CAS: 1354526-11-6
• 化学式: C₁₅H₁₁NO₄S₄
• 分子量: 397.521
• InChiKey: FQOCZZRWICFCKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Er(hfac)₃*2H₂O 、 4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl ester 以 二氯甲烷 为溶剂， 以43%的产率得到[Er(1,1,1,5,5,5-hexafluoroacetylacetonate)3(4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl ester)]
  参考文献：
  名称：

  Pointillart, Fabrice; Bourdolle, Adrien; Cauchy, Thomas, Inorganic Chemistry, 2012, vol. 51, p. 978 - 984

  摘要：

  DOI：
• 作为产物：
  描述：

  4-iodo-2,6-pyridinedicarboxylic acid dimethyl ester 、 (n-buthylstannyl)tetrathiafulvalene 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以32%的产率得到4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl ester
  参考文献：
  名称：

  In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand

  摘要：

  In the [Er(hfac)(3)(L)](2) complex (1) (L = 4-tetrathiafulvalene-2,6-pyridinecarboxylic acid dimethyl ester), the Er(III) ion is bonded to the tridentate coordination site. Electrochemical and photophysical measurements in solution reveal that the tetrathiafulvalene moiety is a versatile antenna for erbium luminescence sensitization at 6540 cm(-1) upon excitation in the low-energy charge transfer transition (donor to acceptor charge transfer) at 16600 cm(-1) assigned via time-dependent density functional theory calculations.

  DOI：

  10.1021/ic202045a

文献信息

• In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand
  作者：Fabrice Pointillart、Adrien Bourdolle、Thomas Cauchy、Olivier Maury、Yann Le Gal、Stéphane Golhen、Olivier Cador、Lahcène Ouahab

  DOI：10.1021/ic202045a

  日期：2012.1.16

  In the [Er(hfac)(3)(L)](2) complex (1) (L = 4-tetrathiafulvalene-2,6-pyridinecarboxylic acid dimethyl ester), the Er(III) ion is bonded to the tridentate coordination site. Electrochemical and photophysical measurements in solution reveal that the tetrathiafulvalene moiety is a versatile antenna for erbium luminescence sensitization at 6540 cm(-1) upon excitation in the low-energy charge transfer transition (donor to acceptor charge transfer) at 16600 cm(-1) assigned via time-dependent density functional theory calculations.
• Pointillart, Fabrice; Bourdolle, Adrien; Cauchy, Thomas, Inorganic Chemistry, 2012, vol. 51, p. 978 - 984
  作者：Pointillart, Fabrice、Bourdolle, Adrien、Cauchy, Thomas、Maury, Olivier、Le Gal, Yann、et al.

  DOI：——

  日期：——