发光学报, 2009, 30 (5): 649, 网络出版: 2010-07-16  

基于α-肉桂酰环乙烯酮二硫缩酮的一类新型D-A有机发光材料的理论

Theoretical Investigation on Novel Donor-acceptor Materials with Organic Light-emitting Diodes Based on α-Cinnamoyl Cyclic Ketene Dithioacetals
作者单位
天水师范学院 生命科学与化学学院, 甘肃 天水741001
引用该论文

王晓峰, 李会学, 袁焜, 董晓宁, 李晓东, 朱元成. 基于α-肉桂酰环乙烯酮二硫缩酮的一类新型D-A有机发光材料的理论[J]. 发光学报, 2009, 30(5): 649.

WANG Xiao-feng, LI Hui-xue, YUAN Kun, DONG Xiao-ning, LI Xiao-dong, ZHU Yuan-cheng. Theoretical Investigation on Novel Donor-acceptor Materials with Organic Light-emitting Diodes Based on α-Cinnamoyl Cyclic Ketene Dithioacetals[J]. Chinese Journal of Luminescence, 2009, 30(5): 649.

参考文献

[1] . Organic electroluminescent diodes[J]. Appl. Phys. Lett., 1987, 51(12): 913-915.

[2] Chen C H, Shi J, Tang C W, et al. Recent developments in the synthesis of red dopants for Alq3 hosted electroluminescence [J]. Thin Solid Films, 2000, 363(1-2):327-331.

[3] . Electron transport materials for organic light-emitting diodes[J]. Chem. Mater., 2004, 16(23): 4556-4573.

[4] . Color tuning in benzo[1,2,5] thiadiazole-based small molecules by amino conjugation/deconjugation: bright red-light-emitting diodes[J]. Adv. Funct. Mater., 2004, 14(1): 83-90.

[5] Li Xiufang, Deng Zhenbo, Zhang Yuanyuan, et al. Emission mechanism in the Tb complex doped PVK system [J]. Chin. J. Lumin. (发光学报), 2007, 28(1):39-43 (in Chinese).

[6] Xu Maoliang, Li Wenlian, Li Mingtao, et al. A new iridium complex with trifluoromethyl-substituted 2-benzo [b] thiophen-2-pyridine ligand and its application in OLEDs [J]. Chin. J. Lumin. (发光学报), 2007, 28(3):433-436 (in English).

[7] Li Yangzhou, Teng Feng, Lei Yueqing, et al. Light-emitting properties of electrochemical cell(LEC) based on emitting material doped with DCJTB [J]. Chin. J. Lumin. (发光学报), 2008, 29(3):425-428 (in Chinese).

[8] Ding Guiying, Wang Jian, Wang Guangde, et al. High-luminance organic light-emitting devices based on rubrene dopant [J]. Chin. J. Liquid Cryst. Displ. (液晶与显示), 2008, 23(1):5-10 (in Chinese).

[9] . A new family of red dopants based on chromene-containing compounds for organic electroluminescent devices[J]. Chem. Mater., 2001, 13(5): 1565-1569.

[10] . Phenothiazine-phenylquinoline donor-acceptor molecules: effects of structural isomerism on charge transfer photophysics and electroluminescence[J]. J. Phys. Chem. B, 2005, 109(42): 19584-19594.

[11] . Novel electroactive and photoactive molecular materials based on conjugated donor-acceptor structures for optoelectronic device[J]. J. Phys. Chem. B, 2005, 109(21): 10786-10792.

[12] . Novel donor-acceptor materials for organic light-emitting diodes based on a-cinnamoyl cyclic ketene dithioacetals[J]. J. Lumin., 2007, 126(2): 464-468.

[13] Zhao Y X, Peng P, Zhou Y H, et al. Energy transfer and luminescent properties in PVK and novel donor-acceptor molecular blend system [J]. Chem. J. Chin. Univ.(高等学校化学学报), 2007, 28(7):1345-1349 (in Chinese).

[14] Foresman J B, Frisch M J. Exploring Chemistry with Electronic Structure Methods [M]. Pittsburgh PA, Gaussian Inc., 1998, 63-90.

[15] Wang Y L, Wu G S. Electronic structure characteristics of ESIPT and TICT fluorescence emissions and calculations of emitting energies [J]. Acta Phys. -Chim. Sin. (物理化学学报), 2008, 24(4):552-560 (in Chinese).

[16] Wang Y L, Wu G S. Proper choice of XC functionals and calculations of fluorescence-emitting energies for coumarin deri-vatives [J]. Acta Phys. -Chim. Sin.(物理化学学报), 2007, 23(12):1831-1838 (in Chinese).

[17] . Density-functional exchange-energy approximation with correct asymptotic behavior[J]. Phys. Rev. A, 1988, 38(6): 3098-3100.

[18] . Development of the colle-salvetti correlation-energy formula into a functional of the electron density[J]. Phys. Rev. B, Condens Matter, 1988, 37(2): 785-789.

[19] . Left-right correlation energy[J]. J. Molecular Phys., 2001, 99(5): 403-412.

[20] . A new mixing of Hartree--Fock and local density-functional theories[J]. J. Chem. Phys., 1993, 98(2): 1372-1377.

[21] . Density-functional thermochemistry. Ⅲ. The role of exact exchange[J]. J. Chem. Phys., 1993, 98(7): 5648-5652.

[22] . Effectiveness of diffuse basis functions for calculating relative energies by density functional theory[J]. J. Phys. Chem. A, 2003, 107(9): 1384-1388.

[23] . Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes[J]. J. Chem. Phys., 2003, 119(23): 12129-12127.

[24] . A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics[J]. J. Chem. Phys., 1997, 107(8): 3032-3035.

[25] . Continuum solvation models: A new approach to the problem of solutes charge distribution and cavity boundaries[J]. J. Chem. Phys., 1997, 106(12): 5151-5155.

[26] . Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: Theoretical bases, computational implementation, and numerical applications[J]. J. Phys. Chem. B, 1997, 101(49): 10506-10517.

[27] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 03 [M]. Revision B.05. Pittsburgh, PA: Gaussian Inc., 2003,172.

[28] Li X B, Wang X Y, Yu X L, et al. TD-DFT study on electronic spectrum properties of zinc complex with 8-thiolquinoline anion and its derivatives [J]. Acta Chim. Sinica (化学学报), 2006, 64(3):208-212 (in Chinese).

[29] Hehre W J, Radom L, Pople J A. Ab initio Molecular Orbital Theory [M]. New York: John Wiley & Sons, 1986, 133-190.

[30] Li Z F, Lu L L, Yuan K, et al. TD-DFT study on electronic spectrum properties of ZnqCl2 and its derivatives [J]. Chin. J. Lumin. (发光学报), 2007, 28(2):179-183 ( in Chinese).

[31] Wang J F, Feng J K, Ren A M, et al. Quantum chemical studies of absorption and emission spectrocopic properties for oglimeric fluorenes and its derivatives [J]. J. Chin. Univ.(高等学校化学学报), 2004, 25(4):676-680 (in Chinese).

[32] . Theoretical studies of the absorption and emission properties of the fluorene-based conjugated polymers[J]. Macromolecules, 2004, 37(7): 3451-3458.

[33] . Electrochemical properties and electronic structures of conjugated polyquinolines and poly-anthrazolines[J]. Chem. Mater., 1996, 8(2): 579-589.

[34] Curioni A, Boero M, Andreoni W. Alq3: ab initio calculations of its structural and electronic properties in neutral and charged states [J]. Chem. Phys. Lett., 1998, 294(4-5):263-271.

[35] . Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange[J]. J. Chem. Phys., 2003, 119(6): 2943-2946.

王晓峰, 李会学, 袁焜, 董晓宁, 李晓东, 朱元成. 基于α-肉桂酰环乙烯酮二硫缩酮的一类新型D-A有机发光材料的理论[J]. 发光学报, 2009, 30(5): 649. WANG Xiao-feng, LI Hui-xue, YUAN Kun, DONG Xiao-ning, LI Xiao-dong, ZHU Yuan-cheng. Theoretical Investigation on Novel Donor-acceptor Materials with Organic Light-emitting Diodes Based on α-Cinnamoyl Cyclic Ketene Dithioacetals[J]. Chinese Journal of Luminescence, 2009, 30(5): 649.

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