5,10-diethyltetradec-7-yne | 1186049-85-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 5,10-diethyltetradec-7-yne
• CAS: 1186049-85-3
• 化学式: C₁₈H₃₄
• 分子量: 250.468
• InChiKey: VBZDHSBWASTAFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  18.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  5,10-diethyltetradec-7-yne 在 N-溴代丁二酰亚胺(NBS) 、 三正丁胺 、 palladium diacetate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 2,7-dibromo-4,5-bis(2-ethylhexyl)benzo[1,2-b:6,5-b']dithiophene
  参考文献：
  名称：

  Benzo[2,1-b ;3,4-b ′]dithiophene-based low-bandgap polymers for photovoltaic applications

  摘要：

  AbstractThe synthesis of four alternating copolymers using benzo[2,1‐b;3,4‐b′]dithiophene (BDP) as the common donor unit is presented. Before the synthesis, theoretical calculations that we performed predicted that the incorporation of BDP, which consists of fused dithiophene units with a benzene ring, into these polymers would produce a low‐lying highest occupied molecular orbital (HOMO) energy level. Low‐lying HOMO levels are desirable to produce high open circuit voltages (VOC) in organic bulk heterojunction (BHJ) photovoltaic devices. The polymers' structural characterization, as well as the preliminary results of their performance in BHJ devices, using (6,6)‐phenyl C61‐butyric acid methyl ester as the electron acceptor, is presented. The VOC values follow the expected trend: increasing with decreasing HOMO level of the polymer. High VOC values of 0.81 and 0.82 V have been obtained from two polymers: PBDPBT and PBDPDPP. The initial power conversion efficiency achieved in these unoptimized devices was 1.11% because of relatively low JSC values. The variation observed in the JSC values between the four polymers is discussed. Device performance is expected to increase with optimization of processing conditions for the devices. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011

  DOI：

  10.1002/pola.24481
• 作为产物：
  描述：

  (4-ethyloct-1-ynyl)trimethylsilane 在 甲醇 、 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 5,10-diethyltetradec-7-yne
  参考文献：
  名称：

  Benzo[2,1-b ;3,4-b ′]dithiophene-based low-bandgap polymers for photovoltaic applications

  摘要：

  AbstractThe synthesis of four alternating copolymers using benzo[2,1‐b;3,4‐b′]dithiophene (BDP) as the common donor unit is presented. Before the synthesis, theoretical calculations that we performed predicted that the incorporation of BDP, which consists of fused dithiophene units with a benzene ring, into these polymers would produce a low‐lying highest occupied molecular orbital (HOMO) energy level. Low‐lying HOMO levels are desirable to produce high open circuit voltages (VOC) in organic bulk heterojunction (BHJ) photovoltaic devices. The polymers' structural characterization, as well as the preliminary results of their performance in BHJ devices, using (6,6)‐phenyl C61‐butyric acid methyl ester as the electron acceptor, is presented. The VOC values follow the expected trend: increasing with decreasing HOMO level of the polymer. High VOC values of 0.81 and 0.82 V have been obtained from two polymers: PBDPBT and PBDPDPP. The initial power conversion efficiency achieved in these unoptimized devices was 1.11% because of relatively low JSC values. The variation observed in the JSC values between the four polymers is discussed. Device performance is expected to increase with optimization of processing conditions for the devices. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011

  DOI：

  10.1002/pola.24481

文献信息

• Substantial photovoltaic response and morphology tuning in benzo[1,2-b:6,5-b′]dithiophene (bBDT) molecular donors
  作者：Tobias Harschneck、Nanjia Zhou、Eric F. Manley、Sylvia J. Lou、Xinge Yu、Melanie R. Butler、Amod Timalsina、Riccardo Turrisi、Mark A. Ratner、Lin X. Chen、Robert P. H. Chang、Antonio Facchetti、Tobin J. Marks

  DOI：10.1039/c3cc49620a

  日期：——

  The influence of solubilizing substituents on the photovoltaic performance and thin-film blend morphology of new benzo[1,2-b:6,5-b']dithiophene (bBDT) based small molecule donor semiconductors is investigated. Solar cells based on bBDT(TDPP)2-PC71BM with two different types of side chains exhibit high power conversion efficiencies, up to 5.53%.

  研究了可溶取代基对新型苯并[1,2-b：6,5-b']二噻吩（bBDT）基小分子供体半导体的光电性能和薄膜共混物形态的影响。基于带有两种不同类型侧链的bBDT（TDPP）2-PC71BM的太阳能电池展现出高达5.53％的高功率转换效率。