Synthesis,Crystal Structure,Theoretical Calculation,and Photophysical Property of a New Cd(Ⅱ) Complex Based on N-heterocyclic Ligand and Isophthalic Acid  被引量:1

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作  者:YAN Li MENG Xue XU Yue LIU Wei 闫丽;孟雪;徐悦;刘伟(Key Laboratory of Preparation and Applications of Environmental Friendly Materials,Ministry of Education,Jilin Normal University,Siping,Jilin 136000,China;College of Computer Science,Jilin Normal University,Siping,Jilin 136000,China)

机构地区:[1]Key Laboratory of Preparation and Applications of Environmental Friendly Materials,Ministry of Education,Jilin Normal University,Siping,Jilin 136000,China [2]College of Computer Science,Jilin Normal University,Siping,Jilin 136000,China

出  处:《Chinese Journal of Structural Chemistry》2021年第3期329-335,273,共8页结构化学(英文)

基  金:supported by National Natural Science Foundation of China(No.21878120)。

摘  要:A new metal-organic coordination complex[Cd(imp)(m-bdc)]_(n) (1,ipm=5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methoxyphenol,m-bdc=isophthalic acid) has been synthesized by hydrothermal reaction and characterized by elemental analysis,thermogravimetric (TG) analysis,infrared spectrum (IR) and single-crystal X-ray diffraction.Complex 1 crystallizes in monoclinic,space group C2/c with a=15.373(5),b=16.719(5),c=19.406(6)A,β=106.995(5)°,V=4770(2)A^(3),C_(28)H_(18)Cd N_(4)O_(6),M_(r)=618.86,D_(c)=1.724 g/cm^(3),μ(Mo Kα)=0.971 mm^(–1),F(000)=2480,Z=8,the final R=0.0391 and w R=0.1044 for 4701 observed reflections (I>2σ(I)).Single-crystal X-ray diffraction reveals that 1 exhibits a one-dimensional (1D) double-chain architecture,and the H-bond intersections link the 1D double-chain architecture into a 2D layer structure.TG analysis shows clear courses of weight loss,which corresponds to the decomposition of different ligands.We also study the luminescent properties of complex 1.In addition,to elucidate the essential electronic characters of this complex,theoretical calculation analysis was performed by the PBE0/LANL2DZ method in Gaussian 03 Program.

关 键 词:Cd(Ⅱ)complex crystal structure fluorescence theoretical calculation 

分 类 号:O641.4[理学—物理化学]

 

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