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Assembly of a New Fluorescent Cd(II) Coordination Compound with a Versatile Multidentate N-Donor Building Block 3-(2-Pyridyl)-5-(3 '-pyridyl)-1,2,4-triazole
Li Ting1; Meng Qing-Fen2; Li Bing1; Jin Xiao-Dong1; Gao Hui1; Chen Xiao-Yan1; Song Wei-Ming1; Liu Wan-Yi1
2015-10-01
Source PublicationCHINESE JOURNAL OF STRUCTURAL CHEMISTRY
Volume34Issue:10Pages:1525-1532
SubtypeArticle
AbstractAssembly of Cd(II) nitrate with a new dipyridyltriazole building block 3-(2-pyridyl)-5-(3'-pyridyl)-1H-1,2,4-triazole (2,3'-Hbpt) and benzoic acid (Hba) yields a new coordination compound [Cd(2,3'-bpt(ba)(H2O)] which was characterized by single-crystal X-ray diffraction, elemental analysis, IR spectrum, TGA and XRPD analysis. Single-crystal X-ray diffraction analysis indicates that the complex belongs to triclinic system, space group P (1) over bar with a = 6.8972(6), b = 8.8182(7), c = 16.0484(1) angstrom, alpha = 75.6330(1), beta = 85.294(2), gamma = 69.3450(1)degrees, V = 884.76(13) angstrom(3), Z = 2, D-c = 1.778 g/cm(3), mu = 1.276 mm(-1), M-r = 473.76, F(000) = 472, the final R = 0.0380 and wR = 0.1054 with I> 2 sigma(I). The Cd(II) ion is coordinated by three N-terminal atoms from two 2,3'-Hbpt ligands as well as three O-terminal atoms from ba(-) and lattice water forming a distorted octahedral coordinated geometry. With the lattice water as hydrogen bond donor, the structure of the title complex is linked into a 2D layer-hole structure from the 0D motif. Theoretical calculation based on density functional theory (DFT) for the ligand is also employed to explicate the stability of different conformations. Moreover, the complex exhibits strong solid state fluorescent emission at room temperature which indicates that the title complex could be a good candidate for potential photoactive materials.
KeywordBenzoic Acid 2 Cadmium(Ii) Complex 3 '-hbpt Crystal Structure Luminescence
WOS HeadingsScience & Technology ; Physical Sciences
WOS KeywordTHERMAL-DECOMPOSITION ; AMMONIUM-PERCHLORATE ; CRYSTAL-STRUCTURES ; ENERGETIC COMPLEX ; PYRIDYL-TRIAZOLE ; ACID SYNTHESIS ; POLYMERS ; LIGAND ; ZINC(II)
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Crystallography
WOS SubjectChemistry, Inorganic & Nuclear ; Crystallography
WOS IDWOS:000364610700009
Citation statistics
Document Type期刊论文
Identifierhttp://ir.isl.ac.cn/handle/363002/6167
Collection青海盐湖研究所知识仓储
Affiliation1.Ningxia Univ, Dept Chem & Chem Engn, Yinchuan 750021, Peoples R China
2.Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China
Recommended Citation
GB/T 7714
Li Ting,Meng Qing-Fen,Li Bing,et al. Assembly of a New Fluorescent Cd(II) Coordination Compound with a Versatile Multidentate N-Donor Building Block 3-(2-Pyridyl)-5-(3 '-pyridyl)-1,2,4-triazole[J]. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,2015,34(10):1525-1532.
APA Li Ting.,Meng Qing-Fen.,Li Bing.,Jin Xiao-Dong.,Gao Hui.,...&Liu Wan-Yi.(2015).Assembly of a New Fluorescent Cd(II) Coordination Compound with a Versatile Multidentate N-Donor Building Block 3-(2-Pyridyl)-5-(3 '-pyridyl)-1,2,4-triazole.CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,34(10),1525-1532.
MLA Li Ting,et al."Assembly of a New Fluorescent Cd(II) Coordination Compound with a Versatile Multidentate N-Donor Building Block 3-(2-Pyridyl)-5-(3 '-pyridyl)-1,2,4-triazole".CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 34.10(2015):1525-1532.
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