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Preparation,Structure,Fluorescence,Semiconductor Properties and TDDFT Calculation of a Mononuclear Zinc Complex with Mixed Ligands 被引量:2

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摘要 A novel zinc complex[ZnL(bipy)(H2O)]×H2O with mixed ligands of 3-hydroxy-2-methylquinoline-4-carboxylic acid(HL)and bipy(bipy=2,2'-bipyridine)was synthesized by solvothermal reaction and its crystal structure was determined by single-crystal X-ray diffraction technique.The title compound crystallizes in the orthorhombic system of Pbca space group,and exists as an isolated mononuclear complex.The intermolecular hydrogen bonds and strongπ…πstacking interactions form a three-dimensional(3-D)supramolecular network.Solid-state photoluminescence spectrum reveals that it shows an emission in the blue region of the light spectrum.Time-dependent density functional theory(TDDFT)calculations reveal that this emission can be attributed to ligand-to-ligand charge transfer(LLCT).Solid-state diffuse reflectance data show that there is a narrow optical band gap of 1.83 eV.
作者 李佳 石连水 易绣光 方小牛 郭婷 李永绣 LI Jia;SHI Lian-Shui;YI Xiu-Guang;FANG Xiao-Niu;GUO Ting;LI Yong-Xiu(School of Chemistry and Chemical Engineering,Jinggangshan University,Ji'an 343009,China;School of Chemistry,Nanchang University,Nanchang 330000,China;School of Stomatology,Nanchang University,The Key Laboratory of Oral Biomedicine,Nanchang 330000,China)
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2020年第3期551-558,379,共9页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China(51363009) Jiangxi Provincial Department of Education’s Item of Science and Technology&Higher Education and Teaching Reform(GJJ160745,GJJ170652,JXJG-17-9-14) Jiangxi Provincial Health Planning Commission’s Item of Science and Technology(20194083) Doctoral Research Start up Foundation of Jinggangshan University(JZB1321,JZB1905)。
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