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6934426 
Journal Article 
Syntheses, Crystal Structures and Theoretical Calculations of Two Nickel, Zinc Coordination Polymers with 4-Nitrophthalic Acid and Bis(imidazol) Ligands 
Li, X; Wang, Z; Valtchev, V; Fang, QR; Pan, Y; , 
2020 
Yes 
Journal of Inorganic and Organometallic Polymers and Materials
ISSN: 1574-1443
EISSN: 1574-1451 
SPRINGER 
DORDRECHT 
30 
2 
477-485 
WOS:000519151600021 
Two new complexes [Ni(4-nph)(bix)(H2O)](n)(1) and [Zn(4-nph)(mbix)](n)center dot nH(2)O (2) (4-H(2)nph = 4-nitrophthalic acid, bix = 1,4-bis(imidazol-1-yl)-benzene, mbix = 1,3-bis(imidazol-1-yl)-benzene) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectroscopy, TG, fluorescence spectroscopy, single-crystal and powder X-ray diffraction. Complex 1 exhibits two dimensional (2D) network structure contain 42-number ring and complex 2 shows one-dimensional ribbon, which were further extended into three-dimensional supramolecular structure through hydrogen bonds and pi-pi stacking interactions. Moreover, we analyzed the natural bond orbital using the PBE0/LANL2DZ method in the Gaussian 03 program of complexes 1 and 2. The calculation results indicated the obvious covalent interactions between the coordinated atoms and the Ni-II, Zn-II ion respectively. 
Hydrothermal synthesis; Crystal structure; Ni(II) complex; Zn(II) complex; Natural bond orbital