Two new mononuclear zinc(II) and cadmium(II) coordination polymers based on 4-(3-pyridyl)-2H-1, 2, 3-triazole: Syntheses, structures, theoretical and fluorescent properties. (1st July 2019)

• Record Type: Journal Article
• Authors: Zhao, Rong; Li, Yan-Jun; Chen, Yun-Feng; Cong, Ye; Zhang, Jiang; Dong, Zhi-Jun; Yuan, Guan-Ming; Cui, Zheng-Wei; Li, Xuan-Ke
• Is Part Of: Polyhedron. Volume 166(2019)
• Page Start: 44
• Page End: 51
• Publication Date: 2019-07-01
• Subjects: Coordination polymers -- d10 metal -- Crystal structures -- TD-DFT -- Fluorescent properties; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2019.03.028
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: The complex containing Zn 2+ exhibits a hcb (3, 3)-connected 2D network with the point symbol (6 3 ) and further forms a supramolecular 3D structure via hydrogen bonds. And the complex containing Cd 2+ reveals a 1D straight chain constructed by units of [Cd(1)N2 I4 ] and hydrogen bonding further leads to the formation of supramolecular 3D system. Abstract: Two new d 10 metal coordination polymers (CPs), [Zn(L )NO3 ] n (1 ) and [Cd(L )I2 ] n (2 ) (L = 4-(3-Pyridyl)-2H-1, 2, 3-triazole), have been designed and synthesized from Zn II /Cd II ions and the rigidL ligand. The CPs1 and2 have been structurally characterized by single-crystal X-ray diffraction analyses, elemental analysis, IR spectroscopy, powder X-ray diffraction (PXRD) and thermal gravimetric analyses (TGA). CP1 exhibits a hcb (3, 3)-connected 2D network with the point symbol (6 3 ) and further forms a supramolecular 3D structure via hydrogen bonds. CP2 reveals a 1D straight chain constructed by units of [Cd(1)N2 I4 ] and hydrogen bonding leads to the formation of supramolecular 3D system. In addition, time-dependent density functional theory calculations with B3LYP functional were performed onL, CPs1 and2 to rationalize their experimental absorption spectra. The luminescence properties ofL, CPs1 and2 in solid-state and different solvents have been also investigated.