A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emit...A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emitting diodes. Both ab initio Hartree-Foek and hybrid density functional methods are used. It is found that S by CH2, NH, O, and Se makes it possible transport properties of the pristine molecule adjusting the central aromatic ring by replacing to fine-tune the electronic, optical, and charge展开更多
Developing multifunctional spiropyran dyes is of particular importance in diverse applications.In the present study,we synthesized two 2,1,3-benzothiadiazole-conjugated spiropyrans(BT-SP-NO2and BTSP-NMe2)with distinct...Developing multifunctional spiropyran dyes is of particular importance in diverse applications.In the present study,we synthesized two 2,1,3-benzothiadiazole-conjugated spiropyrans(BT-SP-NO2and BTSP-NMe2)with distinct substituents.These donor-acceptor-structured spiropyrans exhibited typical twisted intramolecular charge transfer features and strong emissions in low-polarity solvents with fluorescence quantum yields(QYs)of up to 90.7%.Like traditional spiropyrans,the electron-acceptor-substituted BT-SP-NO2exhibited excellent photochromic behavior under multiple alternating UV—Vis irradiation,while the electron-donor-substituted BT-SP-NMe2was an acidochromic dye.In addition,the substituent groups distinctly affected the packing modes of these spiropyrans in the solid state.BTSP-NMe2showed a much stronger solid-state emission(QY of 59.0%)than BT-SP-NO2.Moreover,these two dyes were utilized as biocompatible probes for the specific light-up imaging of lipid droplets.展开更多
2,1,3-Benzothiadiazole(BT)and its derivatives are very important acceptor units used in the development of photoluminescent compounds and are applicable for the molecular construction of organic light-emitting diodes,...2,1,3-Benzothiadiazole(BT)and its derivatives are very important acceptor units used in the development of photoluminescent compounds and are applicable for the molecular construction of organic light-emitting diodes,organic solar cells and organic field-effect transistors.Due to their strong electron-withdrawing ability,construction of molecules with the unit core of BT and its derivatives can usually improve the electronic properties of the resulting organic materials.In this contribution,we review the synthesis of various polymers,small molecules and metal complexes with BT and its derivatives and their applications in organic light-emitting diodes.Furthermore,the molecular design rules based on these cores are discussed.展开更多
A set of CH2-,NH-,and O-substituted 2,1,3-benzothiadiazole(BTD)-based derivatives have been investigated theoretically in order to explore their electronic,optical,and charge transport properties.The calculation resul...A set of CH2-,NH-,and O-substituted 2,1,3-benzothiadiazole(BTD)-based derivatives have been investigated theoretically in order to explore their electronic,optical,and charge transport properties.The calculation results show that the electronic and optical properties of the pristine molecule can be easily tuned through changing the S substituent in the central aromatic ring.Based on the calculated maximum emission wavelength,we predict that CH2-,NH-,and O-substituted BTD-based derivatives could be used as red,green,and orange light-emitting materials,respectively.After CH2-,NH-or O-substitution,the oscillator strengths of the emission spectra are enhanced with respect to that of the pristine molecule,implying that these compounds have larger fluorescence intensity.Finally,it can be deduced that CH2-,NH-,and O-substituted BTD-based derivatives may act as hole transport materials in organic light-emitting diodes.展开更多
Five 4,7-dithien-2-yl-2,1,3-benzothiadiazole （DTBT）-based conjugated copolymers with controlled molecular weight were synthesized to explore their optical, energy level and photovoltaic properties. By tuning the pos...Five 4,7-dithien-2-yl-2,1,3-benzothiadiazole （DTBT）-based conjugated copolymers with controlled molecular weight were synthesized to explore their optical, energy level and photovoltaic properties. By tuning the positions of hexyl side chains on DTBT unit, the DTBT- fluorene copolymers exhibited very different aggregation properties, leading to 60 nm bathochromic shift in their absorptions and the corresponding power conversion efficiencies （PCEs） value of photovoltaic cells varied from 0.38%, 0.69% to 2.47%. Different copolymerization units, fluorene, earbazole and phenothiazine were also investigated. The polymer based on phenothiazine exhib- ited lower PCE value due to much lower molecular weight owing to its poor solubility, although phenothiazine units were expected to be a better electron donor. Compared with the fluorene-based polymer, the carbazole-DTBT copolymer showed higher short circuit current density （Jsc） and PCE value due to its better intermolecular stacking,展开更多
采用Suzuki缩合聚合方法,将4,6-苯并噻二唑单元引入到聚合物中,合成了4,6-苯并噻二唑-咔唑共聚物P1,研究了其光学性质和电化学性质.结果表明,与4,7-位结构类似物(HBC)相比,P1在Mn=12000时仍易溶于甲苯,二氯甲烷等一般的有机溶剂中;其薄...采用Suzuki缩合聚合方法,将4,6-苯并噻二唑单元引入到聚合物中,合成了4,6-苯并噻二唑-咔唑共聚物P1,研究了其光学性质和电化学性质.结果表明,与4,7-位结构类似物(HBC)相比,P1在Mn=12000时仍易溶于甲苯,二氯甲烷等一般的有机溶剂中;其薄膜状态时的紫外吸收光谱和光致发光光谱分别蓝移78和43 nm;光学带宽和电化学带宽分别增大0.35和0.40 e V,而循环伏安曲线的形状不变;说明4,6-位苯并噻二唑单元的引入,有效地改善了苯并噻二唑类聚合物的溶解性能,调节了光电性能,但保留了苯并噻二唑单元优异的电化学稳定性和可逆性.4,6-位苯并噻二唑单元的引入为实现苯并噻二唑类聚合物材料的多性能调节提供了一种新的手段和方法.展开更多
In this study, we developed a simple and sensitive HPLC method for the determination of lisinopril in human plasma. The sample clean-up was carried out by solid-phase extraction(SPE) using a cation-exchange(Strata-SCX...In this study, we developed a simple and sensitive HPLC method for the determination of lisinopril in human plasma. The sample clean-up was carried out by solid-phase extraction(SPE) using a cation-exchange(Strata-SCX~?) extraction cartridge. After a pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole, the reaction mixture was analyzed on an Agilent Zorbax SB~?-C_(18)(150 mm×4.6 mm, 5 μm). The flow rate was set at 1.0 mL/min. Fluorescence detection was performed at an excitation wavelength of 470 nm and an emission wavelength of 530 nm. The mobile phase consisted of a mixture of methanol and 0.02 M sodium dihydrogen phosphate(pH = 3.0, 60:40, v/v). The average extraction recovery of lisinopril and fluvoxamine(internal standard) was >85%. The method exhibited a linear calibration curve over the concentration range of 1–1000 ng/mL with a correlation coefficient(r^2) of ≥0.98 and a limit of quantification(LOQ) equal to 2 ng/mL. The within-run and between-run precisions were satisfactory with an RSD of 3.8%–13.7%(accuracy: from 95.0% to 96.4%) and 4.273%–14.3%(accuracy: from 94.4% to 98.5%), respectively.展开更多
文摘A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emitting diodes. Both ab initio Hartree-Foek and hybrid density functional methods are used. It is found that S by CH2, NH, O, and Se makes it possible transport properties of the pristine molecule adjusting the central aromatic ring by replacing to fine-tune the electronic, optical, and charge
基金supported by the National Natural Science Foundation of China(62105184)the Natural Science Foundation of Shandong Province,China(2022HWYQ-007 and ZR2021QB043)the Special Fund of Taishan Scholars Project of Shandong Province,China(tsqn201909012)。
文摘Developing multifunctional spiropyran dyes is of particular importance in diverse applications.In the present study,we synthesized two 2,1,3-benzothiadiazole-conjugated spiropyrans(BT-SP-NO2and BTSP-NMe2)with distinct substituents.These donor-acceptor-structured spiropyrans exhibited typical twisted intramolecular charge transfer features and strong emissions in low-polarity solvents with fluorescence quantum yields(QYs)of up to 90.7%.Like traditional spiropyrans,the electron-acceptor-substituted BT-SP-NO2exhibited excellent photochromic behavior under multiple alternating UV—Vis irradiation,while the electron-donor-substituted BT-SP-NMe2was an acidochromic dye.In addition,the substituent groups distinctly affected the packing modes of these spiropyrans in the solid state.BTSP-NMe2showed a much stronger solid-state emission(QY of 59.0%)than BT-SP-NO2.Moreover,these two dyes were utilized as biocompatible probes for the specific light-up imaging of lipid droplets.
基金supported by the Science,Technology andInnovation Committee of Shenzhen Municipality(JCYJ20180507183413211)the National Natural Science Foundation of China(51873176,51903157,21828102)+3 种基金Hong Kong Research Grants Council(PolyU153058/19P,C6009-17G)Hong Kong Polytechnic University(1-ZE1C),the Endowed Professorship in Energy from Ms Clarea Au(847S),Research Institute for Smart Energy(RISE)China Postdoctoral Science Foundation Funded Project(2017M622748,2019T120747)Foundation of Wenzhou Science&Technology Bureau(W20170003)。
文摘2,1,3-Benzothiadiazole(BT)and its derivatives are very important acceptor units used in the development of photoluminescent compounds and are applicable for the molecular construction of organic light-emitting diodes,organic solar cells and organic field-effect transistors.Due to their strong electron-withdrawing ability,construction of molecules with the unit core of BT and its derivatives can usually improve the electronic properties of the resulting organic materials.In this contribution,we review the synthesis of various polymers,small molecules and metal complexes with BT and its derivatives and their applications in organic light-emitting diodes.Furthermore,the molecular design rules based on these cores are discussed.
基金support from the Education Office of Jilin Province (2010142)the Institute Foundation of Siping City (2010009)supports from State Key Laboratory of Theoretical and Computational Chemistry of Jilin University
文摘A set of CH2-,NH-,and O-substituted 2,1,3-benzothiadiazole(BTD)-based derivatives have been investigated theoretically in order to explore their electronic,optical,and charge transport properties.The calculation results show that the electronic and optical properties of the pristine molecule can be easily tuned through changing the S substituent in the central aromatic ring.Based on the calculated maximum emission wavelength,we predict that CH2-,NH-,and O-substituted BTD-based derivatives could be used as red,green,and orange light-emitting materials,respectively.After CH2-,NH-or O-substitution,the oscillator strengths of the emission spectra are enhanced with respect to that of the pristine molecule,implying that these compounds have larger fluorescence intensity.Finally,it can be deduced that CH2-,NH-,and O-substituted BTD-based derivatives may act as hole transport materials in organic light-emitting diodes.
基金Acknowledgements Financial support by the National Natural Science Foundation of China （Grant Nos. 51073063 and 20904057） and Open Project of State Key Laboralory for Supramolecular Structure and Materials （No. SKLSSM201129） of Jilin university arc gratefully acknowledged. J. Zhang thanks the support by 100 Talents Programme of the Chinese Academy of Science.
文摘Five 4,7-dithien-2-yl-2,1,3-benzothiadiazole （DTBT）-based conjugated copolymers with controlled molecular weight were synthesized to explore their optical, energy level and photovoltaic properties. By tuning the positions of hexyl side chains on DTBT unit, the DTBT- fluorene copolymers exhibited very different aggregation properties, leading to 60 nm bathochromic shift in their absorptions and the corresponding power conversion efficiencies （PCEs） value of photovoltaic cells varied from 0.38%, 0.69% to 2.47%. Different copolymerization units, fluorene, earbazole and phenothiazine were also investigated. The polymer based on phenothiazine exhib- ited lower PCE value due to much lower molecular weight owing to its poor solubility, although phenothiazine units were expected to be a better electron donor. Compared with the fluorene-based polymer, the carbazole-DTBT copolymer showed higher short circuit current density （Jsc） and PCE value due to its better intermolecular stacking,
文摘采用Suzuki缩合聚合方法,将4,6-苯并噻二唑单元引入到聚合物中,合成了4,6-苯并噻二唑-咔唑共聚物P1,研究了其光学性质和电化学性质.结果表明,与4,7-位结构类似物(HBC)相比,P1在Mn=12000时仍易溶于甲苯,二氯甲烷等一般的有机溶剂中;其薄膜状态时的紫外吸收光谱和光致发光光谱分别蓝移78和43 nm;光学带宽和电化学带宽分别增大0.35和0.40 e V,而循环伏安曲线的形状不变;说明4,6-位苯并噻二唑单元的引入,有效地改善了苯并噻二唑类聚合物的溶解性能,调节了光电性能,但保留了苯并噻二唑单元优异的电化学稳定性和可逆性.4,6-位苯并噻二唑单元的引入为实现苯并噻二唑类聚合物材料的多性能调节提供了一种新的手段和方法.
基金The part of a Pham D thesis supported by Tehran University of Medical Sciences(Grant No.23049-92-02-92)
文摘In this study, we developed a simple and sensitive HPLC method for the determination of lisinopril in human plasma. The sample clean-up was carried out by solid-phase extraction(SPE) using a cation-exchange(Strata-SCX~?) extraction cartridge. After a pre-column derivatization with 4-fluoro-7-nitro-2,1,3-benzoxadiazole, the reaction mixture was analyzed on an Agilent Zorbax SB~?-C_(18)(150 mm×4.6 mm, 5 μm). The flow rate was set at 1.0 mL/min. Fluorescence detection was performed at an excitation wavelength of 470 nm and an emission wavelength of 530 nm. The mobile phase consisted of a mixture of methanol and 0.02 M sodium dihydrogen phosphate(pH = 3.0, 60:40, v/v). The average extraction recovery of lisinopril and fluvoxamine(internal standard) was >85%. The method exhibited a linear calibration curve over the concentration range of 1–1000 ng/mL with a correlation coefficient(r^2) of ≥0.98 and a limit of quantification(LOQ) equal to 2 ng/mL. The within-run and between-run precisions were satisfactory with an RSD of 3.8%–13.7%(accuracy: from 95.0% to 96.4%) and 4.273%–14.3%(accuracy: from 94.4% to 98.5%), respectively.
