A novel fluorene-based conjugated copolymer containing cyclobutenedione unit was synthesized by Suzuki reaction. Its structure and properties were characterized by FTIR, 1HNMR, elemental analysis, PL spectroscopy, DSC...A novel fluorene-based conjugated copolymer containing cyclobutenedione unit was synthesized by Suzuki reaction. Its structure and properties were characterized by FTIR, 1HNMR, elemental analysis, PL spectroscopy, DSC, TGA and cyclic voltammetry. The resulting polymer shows strong yellow PL emission (561 nm) and good solubility in polar aprotic solvents, i.e. THF, DMF, DMAC, DMSO, etc. DSC and TGA studies reveal that the novel polymer possesses excellent thermal stability with high glass transition temperature of 127℃ and onset decomposition temperature of 411℃. Cyclic voltammetry measurement demonstrated that the polymer has both hole and electron-transporting property.展开更多
An elaborated theoretical investigation on the optical and electronic properties of three fluorene-based plati- num（II） and iridium（III） cyclometalated complexes Pt-a, Ir-a and lr-b is reported. The geometric and ...An elaborated theoretical investigation on the optical and electronic properties of three fluorene-based plati- num（II） and iridium（III） cyclometalated complexes Pt-a, Ir-a and lr-b is reported. The geometric and electronic structures of the complexes in the ground state are studied with density functional theory and Hartree Fock ap- proaches, while the lowest triplet excited states are optimized by singles configuration interaction （CIS） methods. At the time-dependent density functional theory （TD-DFT） level, molecular absorption and emission properties were calculated on the basis of optimized ground- and excited-state geometries, respectively. The computational results show that the appearance of triphenylamino （TPA） moiety at the 9-position of fluorene ring favors the hole-creation and leads to red-shifts of absorption and emission spectra. Moreover, Pt-a and Ir-b are nice hole-transporting materials whereas Ir-a has good charge-transfer balance, which render them useful for the realiza- tion of efficient OLEDs （Organic Light-Emitting Diodes）.展开更多
文摘A novel fluorene-based conjugated copolymer containing cyclobutenedione unit was synthesized by Suzuki reaction. Its structure and properties were characterized by FTIR, 1HNMR, elemental analysis, PL spectroscopy, DSC, TGA and cyclic voltammetry. The resulting polymer shows strong yellow PL emission (561 nm) and good solubility in polar aprotic solvents, i.e. THF, DMF, DMAC, DMSO, etc. DSC and TGA studies reveal that the novel polymer possesses excellent thermal stability with high glass transition temperature of 127℃ and onset decomposition temperature of 411℃. Cyclic voltammetry measurement demonstrated that the polymer has both hole and electron-transporting property.
基金This work is supported by the Major State Basic Re- search Development Program （No. 2002CB613406）, the National Natural Science Foundation of China （No. 20973078）, the Open Project of State Key Laboratory of Supramolecular Structure and Materials of Jilin Univer- sity （No. SKLSSM200716）. W.-Y.W. thanks the Hong Kong Research Grants Council （No. HKBU202709） and the Hong Kong Baptist University （No. FRG2/08- 09/111） for financial support.
文摘An elaborated theoretical investigation on the optical and electronic properties of three fluorene-based plati- num（II） and iridium（III） cyclometalated complexes Pt-a, Ir-a and lr-b is reported. The geometric and electronic structures of the complexes in the ground state are studied with density functional theory and Hartree Fock ap- proaches, while the lowest triplet excited states are optimized by singles configuration interaction （CIS） methods. At the time-dependent density functional theory （TD-DFT） level, molecular absorption and emission properties were calculated on the basis of optimized ground- and excited-state geometries, respectively. The computational results show that the appearance of triphenylamino （TPA） moiety at the 9-position of fluorene ring favors the hole-creation and leads to red-shifts of absorption and emission spectra. Moreover, Pt-a and Ir-b are nice hole-transporting materials whereas Ir-a has good charge-transfer balance, which render them useful for the realiza- tion of efficient OLEDs （Organic Light-Emitting Diodes）.
