Abstract
Two new complexes [Ni(4-nph)(bix)(H2O)]n(1) and [Zn(4-nph)(mbix)]n·nH2O (2) (4-H2nph = 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 π–π 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 NiII, ZnII ion respectively.
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Acknowledgements
This work was supported by the Science and Technology Development Project of Jilin Provincial Science & Technology Department (Grant No. 2015052006JH) and the Science and Technology Research Projects of the Education Department of Jilin Province (Grant No. 2016219). Program supports from State Key Laboratory of Theoretical and Computational Chemistry of Tonghua Normal University are gratefully acknowledged.
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Li, XM., Wang, ZT., Valtchev, V. et al. Syntheses, Crystal Structures and Theoretical Calculations of Two Nickel, Zinc Coordination Polymers with 4-Nitrophthalic Acid and Bis(imidazol) Ligands. J Inorg Organomet Polym 30, 477–485 (2020). https://doi.org/10.1007/s10904-019-01206-z
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DOI: https://doi.org/10.1007/s10904-019-01206-z