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非富勒烯小分子受体(SMAs)有序聚集决定聚合物/非富勒烯共混体系光伏电池的双分子复合几率。 然而,由于非对称相分离聚合物趋于优先形成网络,抑制小分子受体分子结晶。 在聚[(2,6-(4,8-二(5-(2-乙基己基噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩))-alt-(5,5-(1',3'-二-2-噻吩基-5',7'-二(2-乙基己基)苯并[1',2'-c:4',5'-c']二噻吩-4,8-二酮))](PBDB-T)/9-二(2-亚甲基(3-(1,1-二氰基亚甲基)-6,7-二氟-茚酮))-5,5,11,11-四(4-己基苯基)-二噻吩并[2,3-d:2',3'-d']-s-引达省[1,2-b:5,6-b']二噻吩(IT-4F)共混体系,四氢呋喃蒸汽处理可提高IT-4F结晶性,150 ℃热退火可提高PBDB-T的结晶性。 因此,依次利用蒸汽退火和热退火处理薄膜,诱导小分子先结晶、聚合物后结晶,从而降低PBDB-T对小分子扩散的限制,构建高结晶互穿网络结构。 形貌优化后降低了双分子复合,器件光电转换效率从5.95%提高至7.18%。 相似文献
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<正>近年来,聚合物太阳能电池(PSCs)以其重量轻、价格低廉、可通过印刷方式制备大面积柔性器件等潜在优势,得到了学术界和工业界的广泛关注,也是世界各国在新能源部署上的重要研究方向之一.窄带非富勒烯受体(如2,2’-[[6,6,12,12-四(4-己基苯基)-6,12-二氢二硫代[2,3-d:2’,3’-d’]-s-吲哚诺[1,2-b:5,6-b’]二噻吩-2,8-二基]双[亚甲基(3-氧代-1H-茚-2,1(3H)-二亚甲基)]]双[丙胺](ITIC)、2,2’-((2Z,2’Z)-((4,4,9,9-四(对己基苯)-4,9-二氢-S-引达省并二噻吩-2,7-二基)双(甲基亚基))-双-(3-氧代-2,3-二氢-1H-茚-2,1-二亚甲基))二丙二腈(IDIC))对于推动聚合物太阳能电池的发展起着至关重要的作用. 相似文献
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以高度平面共轭的烷基取代三聚茚为中心核, 以噻吩基团桥联, 在末端连接氰基茚酮作为拉电子基团, 设计合成了一类星型受体分子2,2',2″-{[(5,5,10,10,15,15-己基-10,15-二氢-5H-二茚[1,2-a:1',2'-c]芴-2,7,12-三基)三(噻吩-5,2-二基)]三(亚甲基)}三(3-氧杂-2,3-二氢-1H-茚-2,1-二叉)三丙二腈(NFT-C6)和2,2',2″-{[(5,5,10,10,15,15-癸基-10,15-二氢-5H-二茚[1,2-a:1',2'-c]芴-2,7,12-三基)三(噻吩-5,2-二基)]三(亚甲基)}三(3-氧杂-2,3-二氢-1H-茚-2,1-二叉)三丙二腈(NFT-C10). NFT-C6和NFT-C10的最高占据轨道(HOMO)和最低未占轨道(LUMO)分别位于-5.66和-3.75 eV. 其薄膜在400~700 nm范围内具有较大的吸收强度, 最大吸收峰分别位于606和586 nm. 以聚[(2,6-{4,8-二[5-(2-乙基己基)噻吩-2-基]-苯并[1,2-b:4,5-b']二噻吩})-{5,5-(1',3'-二-2-噻吩基-5',7'-二(2-乙基己基)苯并[1',2'-c:4',5'-c']二噻吩-4,8-二酮)}](PBDB-T)为给体材料, 以NFT-C6或NFT-C10为受体材料制备了太阳能电池器件, 器件在300~700 nm之间具有较宽的响应光谱, 其光电转换效率(PCE)分别达到1.09%和5.23%. 原子力显微镜(AFM)结果表明, PBDB-T和NFT-C10共混制备的光伏器件活性层具有合适的相分离尺寸, 有利于激子的有效解离, 而PBDB-T: NFT-C6器件的活性层相分离尺寸过大, 增加了激子复合的几率, 使器件的短路电流、 填充因子和PCE降低. 研究结果表明, 基于三聚茚的星型光伏材料具有一定的应用前景. 相似文献
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在亚磷酸三乙酯催化作用下,2,3-二(2-吡啶硫基)-1,3-二硫环戊烯-2-硫酮(1)分别与2-噻吩甲醛(2a)和3-噻吩甲醛(2b)发生成烯偶联反应,生成二硫富瓦烯化合物[2-(2-噻吩)亚基-1,3-二硫环戊烯-4,5-二硫基]双邻吡啶(3a)和[2-(3-噻吩)亚基-1,3-二硫环戊烯-4,5-二硫基]双邻吡啶(3b);含噻吩和吡啶基的二硫富瓦烯化合物3a和3b分别经过单质碘诱导氧化偶联反应和硫代亚硫酸钠还原反应,得到含噻吩和吡啶基的插烯式四硫富瓦烯化合物1,2-双(4,5-二邻吡啶硫代-1,3-二硫环戊烯-2-亚基)-1,2-双(2-噻吩基)乙烷(4a)和1,2-双(4,5-二邻吡啶硫代-1,3-二硫环戊烯-2-亚基)-1,2-双(3-噻吩基)乙烷(4b).利用核磁共振波谱(NMR)、傅里叶变换红外光谱(FTIR)和质谱(MS)方法对插烯式四硫富瓦烯衍生物(4a和4b)分别进行了表征,同时采用X射线单晶衍射法分析确证了化合物3a,3b,4a和4b的晶体结构.循环伏安法研究结果表明,化合物4a和4b呈现准可逆的两电子转移行为.结合量子化学理论计算,探讨了噻吩基的位置差异对化合物4a和4b电化学电位的影响. 相似文献
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3-疏基香豆素及其衍生物的研究 总被引:1,自引:0,他引:1
研究了3-疏基香豆素(8)、3,3'-二硫代双香豆素的合成及8与一系列Michael受体的反应.按受体结构不同,除都能发生分子间的加成反应外,有些还可进一步发生第二次分子内的加成反应,关环后得到一系列四氢噻吩并[2,3-C][1]苯并吡喃-4(H)-酮的衍生物.对这些化合物的立体化学及结构进行了鉴定.8分别和烯丙基溴、肉桂基溴缩合,前者在N,N-二甲苯胺内发生正常的Claisen重排,得到1,2-二氢-2-甲基噻吩并[2,3-C][1]苯并吡喃-4-(H)-酮及1,2,3,5-四氢硫代吡喃并[2,3-C][1]苯并吡喃-5-酮,但后者的反应产物是3-(ρ-N,N-二甲氨基)苄硫基香豆素. 相似文献
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以苯和二联苯单元为核,分别在其1,4位和4,4'(对位)引入噻吩-咔唑单元,设计合成了9,9'-(1,4-亚苯基)双[3,6-双(2-噻吩)]-9-氢-咔唑(BTCPh)和9,9'-[1,1'-联苯基]-4,4'-二取代基双[3,6-双(2-噻吩)]-9-氢-咔唑(BTCBPh)2种化合物;再通过电化学聚合得到相应的交联结构聚合物,分别为聚9,9'-(1,4-亚苯基)双[3,6-双(2-噻吩)]-9-氢-咔唑(p BTCPh)和聚9,9'-[1,1'-联苯基]-4,4'-二取代基双[3,6-双(2-噻吩)]-9-氢-咔唑(p BTCBPh)薄膜.利用循环伏安法(CV)、多电位阶跃、紫外-可见-近红外(UV-Vis-NIR)吸收光谱和扫描电子显微镜(SEM)等手段对其进行了表征与电化学性能测试.结果表明,2种聚合物均表现出良好的电化学性质、相似的颜色变化、较高的光学对比度及电化学循环稳定性等优异的电致变色性质.p BTCPh聚合物薄膜比p BTCBPh表现出更快的响应速度,这可能是由于前者具有更加均匀规整的堆积结构,有利于变色过程中的离子嵌入与脱出所致. 相似文献
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采用密度泛函理论(DFT)的B3LYP/6-31G(d)方法对以低聚噻吩为端基、 苯并二噻吩(TPT)和并三噻吩(TTT)为共轭桥、 炔键为连接臂的20个模型化合物进行了计算研究. 在优化中性与离子态几何构型基础上, 获得了前线轨道能级、 电离能(IPs)、 电子亲和势(EAs)、 空穴/电子重组能(λh/λe)、 载流子迁移率(μh/μe)及吸收光谱等信息. 结果表明, 炔键的引入及端基低聚噻吩的增加对LUMO能级的调控作用较为显著, 而共轭桥的类型对HOMO能级影响较大; 合理选择端基、 共轭桥和连接臂等结构单元可对该类材料吸光波段及强度进行有效调节. 一维电荷传输模型结果表明, 所设计的化合物均是潜在的双极性有机半导体材料, 其中2,7-二([2,2':5',2'-三噻吩]-5-基)苯并[1,2-b:6,5-b']二噻吩(A3)和2,7-二(二噻吩并噻吩-2-基乙炔基)苯并[1,2-b:6,5-b']二噻吩(a-3)具有较高的电子迁移率, 值得进一步的实验探索研究. 相似文献
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Veli-Matti Mukkala Christian Sund Marek Kwiatkowski Paavo Pasanen Marita Hgberg Jouko Kankare Harri Takalo 《Helvetica chimica acta》1992,75(5):1621-1632
Twelve heteroaromatic complexing agents 9a–I were synthesized with the purpose to develop suitable labels for time-resolved luminescence-based bioaffinity assays. The relative luminescence yields, excitation maxima, and emission decay constants of their europium(III) and terbium(III) chelates were determined. According to these results, 2,2′,2″,2?-[(2,2′-bipyridine-6,6′-diyl)bis(methylenenitrilo)]tetrakis (acetic acid) ( 9e ) and 2,2′,2″,2?-[(2,2′:6′,2″-terpyridine-6,6″-diyl)bis(methylenenitrilo)] tetrakis(acetic acid) ( 91 ) are the most promising agents. 相似文献
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In this work, 3,3′-(((1E,1′E)-(H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diyl)bis(ethene-2,1-diyl))bis(1,1-dimethyl-1H-benzo[e]indole-3-ium-2,3-diyl))bis(propane-1-sulfonate) (1), 3,3’-(((1E,1′E)-(6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diyl)bis(ethene-2,1-diyl))bis(3,3-dimethyl-3H-indole-1-ium-2,1-diyl))bis(propane-1-sulfonate) (2), 2,2’-((1E,1′E)-(6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diyl)bis(ethene-2,1-diyl))bis(1,3,3-trimethyl-3H-indol-1-ium) iodide (3) and 2,2’-((1E,1′E)-(6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diyl)bis(ethene-2,1-diyl))bis(1,1,3-trimethyl-1H-benzo[e]indol-3-ium) iodide (4) were designed and synthesized by ethylene bridging of the N-substituted indolium salts and the Tröger’s Base (TB) framework. The probes exhibited a longer absorption and emission wavelength and the emission wavelength of them in dichloromethane (DCM) was more than 600 nm, performed a red fluorescence. All of the probes could work on the extreme acidic and the extreme alkaline environments and showed a good liner response in the working pH range. Especially, 2 and 4 were soluble in water and manifested a good pH sensing in a water system. Also, 1H NMR analysis illustrated how these dyes worked as the pH-sensitive fluorescence probes. In addition, they performed excellent reversibility, high selectivity and good photostability. 相似文献
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Herbert S.-I. Chao Elizabeth Barren 《Journal of polymer science. Part A, Polymer chemistry》1993,31(7):1675-1685
Polyimides derived from 5,5′-[(2,2′,3,3′-tetrahydro-3,3,3′,3′-tetramethyl-1,1′-spirobi[1H-indene]-6,6′-diyl)bis(oxy)]bis-1,3-isobenzofurandione (spirobisindane dietheranhydride, SBIDA) and 20 plus aromatic diamines were prepared. The weight percentage of cyclic contaminants in each polyimide, estimated by gel permeation chromatography, ranges from 4 to 25%. The amount of cyclics formed in each polyimide depends on the distance and spatial orientation of the two amino groups on the aromatic diamines as well as the rigidity of the diamines. The formation of SBIDA-containing polyimide was found to be catalyzed by alkali metal ions even when the reaction was conducted in m-cresol. Thermal stability and glass transition temperature of those SBIDA-derived polyimides were examined with thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Two promising compositions were scaled up and their mechanical properties were obtained. © 1993 John Wiley & Sons, Inc. 相似文献
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Intramolecular cyclisation of properly protected and activated derivatives of 2′,3′-secouridine ( = 1-{2-hydroxy-1-[2-hydroxy-1-(hydroxymethyl)ethoxy]-ethyl}uracil; 1 ) provided access to the 2,2′-, 2,3′-, 2,5′-, 2′,5′-, 3′,5′-, and 2′,3′-anhydro-2′,3′-secouridines 5, 16, 17, 26, 28 , and 31 , respectively (Schemes 1–3). Reaction of 2′,5′-anhydro-3′-O-(methylsulfonyl)- ( 25 ) and 2′,3′-anhydro-5′-O-(methylsulfonyl)-2′,3′-secouridine ( 32 ) with CH2CI2 in the presence of 1,8-diazabicyclo[5.4.0]undec-7-ene generated the N(3)-methylene-bridged bis-uridine structure 37 and 36 , respectively (Scheme 3). Novel chiral 18-crown-6 ethers 40 and 44 , containing a hydroxymethyl and a uracil-1-yl or adenin-9-yl as the pendant groups in a 1,3-cis relationship, were synthesized from 5′-O-(triphenylmethyl)-2′,3′-secouridine ( 2 ) and 5′-O,N6-bis(triphenylmethyl)-2′,3′-secoadenosine ( 41 ) on reaction with 3,6,9-trioxaundecane-1,11-diyl bis(4-toluenesulfonate) and detritylation of the thus obtained (triphenylmethoxy) methylcompound 39 and 43 , respectively (Scheme 4). 相似文献
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Pramod B. Pansuriya Hitesh M. Parekh Holger B. Friedrich Glenn E. M. Maguire 《Journal of Thermal Analysis and Calorimetry》2013,111(1):597-603
Bisthiourea derivatives 1,1′-(ethane-1,2-diyl)bis(3-phenylthiourea), 1,1′-(propane-1,3-diyl)bis(3-phenylthiourea), and 1,1′-(butane-1,4-diyl)bis(3-phenylthiourea) have been synthesized and characterized by IR, 1H NMR, and 13C NMR. Suitable crystals of 1,1′-(propane-1,3-diyl)bis(3-phenylthiourea) were grown for single-crystal X-ray analysis and from the data it was observed that they organize into the P-1 space group. The thermal decomposition of these compounds has been studied by TG–DSC. 相似文献
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《Journal of organometallic chemistry》1986,312(2):221-240
UV irradiation of hexacarbonyl-μ-η6:6-1,1′-bi(2,4,6-cycloheptatrien-1-yl)dichromium(O) (I) in THF in the presence of 1,3-butadiene (A), E-1,3-pentadiene (B) and EE-2,4-hexadiene (C) causes preferentially a twofold [4 + 6]-cycloaddition and formation of the hexacarbonyl-μ-2–5 : 8.9-η-2′–5′ : 8′,9′-η-11,11′-bi(bicyclo-[4.4.1]undeca-2,4,8-trien-11-yl)dichromium(O) complexes (IVA–IVC). Partial decomplexation after the first [4 + 6]-cycloaddition yields isomeric tricarbonyl-2–5:8,9-η- (IIA–IIC) and tricarbonyl-2′–7′-η-{11-(2′,4′,6′-cycloheptatrien-1′-yl)bicyclo[4.4.1]undeca-2,4,8-triene}chromium(O) complexes (IIIA–IIIC). With 2,3-dimethyl-1,3-butadiene (D) mainly dicarbonyl-2–6 : 2′–4′-η-{1-(2′,3′-dimethyl-3′-buten-1′,2′-diyl)-7-(8″,9″-dimethylbicyclo[4.4.1]undeca-2″, 4″,8″-trien-11″-yl)cyclohepta-3,5-dien-2-yl}chromium(O) (VD) besides small amounts of pentacarbonyl-μ-2–6 : 2′–4′-η-2″–7″-η-{1-(2′,3′-dimethyl-3′-buten-1′,2′-diyl)-7-(2″, 4″,6″-cycloheptatrien-1″-yl)cyclohepta-3,5-dien-2-yl}dichromium(O) (VID) and tricarbonyl-2′-7′-η-{11-(2′,4′,6′-cycloheptatrien-1′-yl)-8,9-dimethyl-bicyclo[4.4.1]undeca-2,4,8-triene}-chromium(O) (IIID) is obtained. VD adds readily CO to yield tricarbonyl-2–5 : 8,9-η-11,11′-bi(8,9-dimethyl-bicyclo[4.4.1]undeca-2,4,8-trien-11-yl)chromium(O) (VIID). Finally D adds to VID under formation of pentacarbonyl-μ-2–6 : 2′–4′-η-2″–5″ : 8″,9″-η-{1-(2′,3′-dimethyl-3′-buten-1′,2′-diyl)-7-(8″,9″-dimethyl-bicyclo[4.4.1]- undeca-2″,4″,8″-trien-11″-yl)cyclohepta-3,5-dien-2-yl}dichromium(O) (VIIID). From IVA–IVC the hydrocarbon ligands (IXA–IXC) can be liberated by P(OCH3)3 in good yields. The structures of the compounds IIA–IXC were determined by IR 相似文献
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In this work, we aimed to synthesize and characterize a novel tetra-directional ligand, (2E,2′E)-2,2′-((((2-(1,3-bis(4-((E)-(2-carbamothioylhydrazono)methyl)phenoxy)propan-2-ylidene)propane-1,3-diyl)bis(oxy))bis(4,1-phenylene))bis(methanylylidene))bis(hydrazinecarbothioamide) (5), including thiosemicarbazone group and its novel tetra-directional-tetra-nuclear Schiff base complexes. For this purpose, we used 1,4-dibromo-2,3-bis(bromomethyl)but-2-ene (2) as starting material. 4,4′-((2-(1,3-Bis(4-formylphenoxy)propan-2-ylidene)propane-1,3-diyl) bis(oxy))dibenzaldehyde (3) was synthesized by the reaction of an equivalent 1,4-dibromo-2,3-bis(bromomethyl)but-2-ene (2) and 4 equivalents of 4-hydroxybenzaldehyde. Then, compound 5 was synthesized in high yield (86%) by a condensation reaction of compound 3 with thiosemicarbazide (4). Finally, four novel tetra-nuclear Cr(III) or Fe(III) complexes of compound 5 were synthesized. The synthesized compounds were characterized using elemental analyses, 1H NMR, Fourier transform–infrared spectrometry, liquid chromatography–mass spectrometry (ESI+), and thermal analyses. The metal ratios of the prepared complexes were determined using an atomic absorption spectrophotometer. We also investigated their effects on the magnetic behaviors of [salen, salophen, Cr(III)/Fe(III)] capped complexes. The complexes were found to be low-spin distorted octahedral Fe(III) and distorted octahedral Cr(III), all bridged by thiosemicarbazone. 相似文献
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77Se NMR chemical shifts and 1J(SeC) coupling constants were measured for nine organic selenium compounds: 4,5,6,7-tetrahydro-,4′,4′,6,6-tetramethylspiro[1,3-benzoxaselenole-2,1′-cyclohexane]-2′,4,6′-trione and closely related derivatives, bis(2-hydroxy-4,4,6,6-tetramethyl-3-oxo-1-cyclohexenyl) selenide and derivatives, and 1,5,5-trimethyl-7-selenabicyclo[2.2.1]heptane-2,3-dione. The chemicalshifts ranged from ?107 to 595 ppm from the external dimethyl selenide standard. The bridged selenabicyclic compound showed a small coupling constant (42 Hz). 相似文献
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Kanda S. Ramasamy Farid Bakir Brenda Baker P. Dan Cook 《Journal of heterocyclic chemistry》1993,30(5):1373-1377
The synthesis of benzylated N2-(4,7,10,13-tetraazatridec-1-yl)-2′-deoxyguanosines 4 was accomplished by a key nucleophilic reaction of the novel unsymmetrical polyamine 2 , with 3′,5′-O-(tetraisopropyldisiloxane-1,3-diyl)-2-chloro-2′-deoxyinosine ( 1 ). 相似文献
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Herein, we report the study of the three-photon absorption cross-section dependence on solvents parameters for a highly conjugated organic dye, 2,2'-(4,4'-(1E,1'E)-2,2'-(9,9-didecyl-9H-fluorene-2,7-diyl) bis(ethene-2,1-diyl)bis(4,1-phenylene))dibenzo[d]thiazole (A-pi-pi-pi-A). The three-photon absorption cross-section was measured for this organic dye in solution in four different solvents with polarity function, Deltaf between 0.162 and 0.247. The experiments show how the solvent's reorientation of the electrons and polarity contribute to the 3PA cross-section. Multiphoton-absorption experiments of A-pi-pi-pi-A in all four different solvents were performed with a tunable OPG pumped by a 25 picosecond Nd-YAG laser. 相似文献