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| Syntheses, crystal structures, and characterizations of two cadmium(Ⅱ) coordination polymers |
| Author Name | Affiliation | E-mail | | LI Xiumei | Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China | | | LI Linlin | Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China | 403666495@qq.com | | LIU Bo | Faculty of Chemistry, Jilin Normal University, Siping, Jilin 136000, China | 112363305@qq.com | | PAN Yaru | Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China | |
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| Abstract: Two new transition-metal coordination polymers, {[Cd(oba)(L)2]·H2O}n (1) and [Cd(4-nph)(L)2]n (2) (H2oba= 4,4'-oxydibenzoic acid, 4-H2nph=4-nitrophthalic acid, L=2,2'-biimidazole), were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy, elemental analyses, single-crystal X-ray diffraction, powder X-ray diffraction, and thermogravimetric analysis. The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds and π-π stacking interactions. Meanwhile, complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds and π-π stacking interactions. In addition, both 1 and 2 exhibited luminescent properties in the solid state. Furthermore, quantum chemical calculations were carried out on the“molecular fragments”extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian16 program. The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ) ions. |
| Keywords: coordination polymer cadmium(Ⅱ) complex crystal structure quantum-chemical calculations |
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| LI Xiumei,LI Linlin,LIU Bo,PAN Yaru.Syntheses, crystal structures, and characterizations of two cadmium(Ⅱ) coordination polymers[J].Chinese Journal of Inorganic Chemistry,2025,41(3):613-623. |
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