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国家自然科学基金(50473046)

作品数:5 被引量:22H指数:3
相关作者:朱卫国高进伟李小兵禹新良王学业更多>>
相关机构:湘潭大学更多>>
发文基金:国家自然科学基金湖南省教育厅重点项目湖南省自然科学杰出青年基金更多>>
相关领域:理学更多>>

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8-巯基喹啉阴离子的锌配合物及其衍生物的电子光谱性质的含时密度泛函理论研究被引量:12
2006年
采用从头算(abinitio)和密度泛函理论(DFTB3LYP)方法,对配合物8-巯基喹啉锌Zn(tq)2及其5种衍生物基态结构进行优化,用含时密度泛函理论(TD-DFT/B3LYP)及6-31+G(d)基组计算吸收光谱;同时用abinitioHF单激发组态相互作用(CIS)法在6-31G(d)基组上优化其最低激发单重态几何结构,用含时密度泛函理论计算发射光谱.结果表明,电子在基态与激发态间的跃迁,主要是在配体8-巯基喹啉(tq)环内的电荷转移,电子从含S的苯硫酚环转移至含N的吡啶环上;吸收光谱和发射光谱的计算值与实验值基本符合.该类配合物都是优良的电子传输材料,改变金属离子和取代基均可以调控发光材料的光谱波段.
李小兵王学业禹新良高进伟朱卫国
关键词:吸收光谱发射光谱含时密度泛函理论
A novel terbium complex using oxadiazole derivative as a neutral ligand:Synthesis and properties被引量:3
2007年
A novel terbium complex using 1,3,4-oxadiazole derivative as a neutral ligand was synthesized and characterized. Its thermal stability and photoluminescent properties were studied. The strong emission peaked at 546 nm with a full width at half maximum of 5 nm was observed in the pure terbium complex film under excitation of 328 nm light, which is attributed to the characteristic emission of terbium ion. The good thermal stability and intense sharp emission of this terbium complex display its potential application in electroluminescence devices.
Yu LiuKong Qiang XingJi Yong DengMei Xiang ZhuXia Yu WangWei Guo Zhu
关键词:铽配合物
Synthesis and photophysical and electrochemical properties of new cyclometalated platinum complex containing oxadiazole ligand被引量:3
2007年
A new cyclometalated platinum complex containing 2, 5-bis(naphthalene-1-yl)-1,3,4-oxadiazole ligand was synthesized and characterized. The UV-Vis absorptions and photoluminescent properties of the ligand and its platinum complex were investigated. A characteristic metal-ligand charge transfer absorption peak at 439 nm in the UV spectrum and a strong emission peak at 625 nm in the photoluminescence spectrum were observed for this complex in dichloromethane. Cyclic voltammtry (CV) analysis shows that the EHOMO (energy level of the highest occupied molecular orbital) and ELUMO (energy level of the lowest unoccupied molecular orbital) of the platinum complex are about 、5.69 and 、3.25 eV, respectively, indicating that the oxadiazole-based platinum complex has a potential application in electrophosphorescent devices used as a red-emitting material.
邓继勇刘煜胡峥勇朱美香朱卫国
关键词:铂络合物
Synthesis of Novel Europium Complex with 5-Oxadiazole Substituent- 1,10-phenanthroline Ligand
<正>A novel europium complex [(OXD-Phen)Eu(DBM)3] containing oxadiazole-functionalized phenanthroline ligand wa...
LIU,Yu LI,Jian-Ren LIU, Jian YANG, Yu-Ping GAN, Quan WANG, Xia-Yu ZHU, Wei-Guo (College of Chemistry, Xiangtan University, Xiangtan 411105) (Department of Chemistry, Qiongzhou University, Wuzhishan 572200)
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含三芳胺基的单环金属铂配合物的合成及其光物理与电化学性质被引量:2
2006年
通过Ullmann反应和环金属化反应合成了两种新型含三芳胺基的单环金属铂配合物:[N,N-二(4-叔丁基苯基)-4-(2′-吡啶基)苯胺-C3,N1](二苯甲酰基甲烷)合铂(Ⅱ)[(BuPhNPPy)Pt(DBM)]和[N,N-二苯基-4-(2′-吡啶基)苯胺-C3,N1](二苯甲酰基甲烷)合铂(Ⅱ)[(PhNPPy)Pt(DBM)],探讨了分子结构和反应条件对合成反应的影响,环金属化反应的产率达到87.0%.研究了单环铂配合物的紫外-可见光谱、光致发光和电化学性质.研究结果表明,(PhNPPy)Pt(DBM)和(BuPhNPPy)Pt(DBM)的氧化-还原电位分别为0.80,-1.63V和0.93,-1.45V;它们都具有很强的紫外吸收和光致发光性能,其中(PhNPPy)Pt(DBM)的最大紫外吸收峰为346nm,最大荧光波长为537nm,(BuPhNPPy)Pt(DBM)的最大紫外吸收和荧光波长相应红移7~13nm.
刘坚刘煜罗翠萍刘恩辉杨玉萍甘泉朱美香朱卫国
关键词:铂配合物紫外-可见光谱电化学性质
Synthesis and optophysical properties of blue-emitting iridium (Ⅲ) complex bearing oxadiazole-based picolinic acid derivative被引量:2
2009年
An iridium (Ⅲ) bis[(4,6-difluorophenyl)pyridinato-N, C2][6-(6'-(4''-( 5'''-phenyl- 1''',3''',4'''-oxadiazole- 2 '''-yl) phenoxy) hexyloxy picolinate) was synthesized and characterized by 1H NMR and elementary analysis in order to study the effect of ancillary ligand of the oxadiazole-based picolinic acid derivative on optophysical properties of its iridium complex, and further to obtain an iridium complex with highly-efficient blue emission. The thermal stability, UV absorption and photoluminescent properties of this iridium complex were investigated. Compared with iridium (Ⅲ) bis[(4,6-difluorophenyl)pyridinato-N, C2](picolinate) reported as a highly-efficient blue electroluminescent material, this iridium complex bearing an oxadiazole-based picolinic acid derivative presents higher thermal stability, more intense UV absorption at 291 nm and similar photoluminescent spectrum peaked at 469 nm. This indicates that tuning ancillary ligand of picolinic acid with an oxadiazole unit can improve the optophysical properties of its iridium complex.
文忠林胡峥勇刘煜肖方亮马小云朱美香朱卫国
关键词:吡啶羧酸蓝色发光紫外吸收光谱
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