Enhanced antifungal activities of four Zn(II) complexes based on uniconazole |
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| Authors: | Guo‐Yu Ren Jie Li Jin‐Hua Zhou Biao Yan Ying‐Hui Ren Xiao‐Hong Sun Hai‐Xia Ma |
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| Institution: | 1. School of Chemical Engineering, Northwest University/ Shaanxi Key Laboratory of Physical‐Inorganic Chemistry, Xi’an, Shaanxi, China;2. School of Chemistry and Chemical Engineering, Yulin University/ Laboratory of Low Metamorphic Coal Clean Utilization, Yulin, Shaanxi, China |
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| Abstract: | Four Zn(II) complexes, Zn L 2(SO4)]n ( 1 ), Zn L 4(H2O)2]?2(NO3)?4EtOH ( 2 ), Zn L 2Cl2]? L ( 3 ), and Zn L 2Br2]? L ( 4 ) ( L = uniconazole), were synthesized using a hydrothermal method and characterized by elemental analysis, FT‐IR spectroscopy, and single‐crystal XRD. Complex 1 formed a one‐dimensional polymer chain. However, complexes 2 ‐ 4 were obtained as zero‐dimensional mononuclear coordination compounds. The antifungal activities of these complexes were then evaluated against four selected fungi using the mycelial growth rate method. The resulting data indicate that all complexes show better antifungal activities than their ligands and mixtures. In addition, the interactions between the metal salts of complexes 1 ‐ 4 and uniconazole seem to be synergistic. Furthermore, the polymer chain structure of complex 1 significantly enhanced the bioactivity, especially against Botryosphaeria ribis ( I ). Density functional theory (DFT) calculations were carried out to help explain the enhanced bioactivity after the formation of Zn(II) complexes. The resulting data show that the HOMO–LUMO energy gaps of complexes 1 ‐ 4 (0.0578, 0.0946, 0.1053, and 0.1245 eV) are smaller than that of the free ligand (0.1247 eV) and correlate with the antifungal activity of the zinc complexes. |
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| Keywords: | crystal structure DFT enhanced antifungal activities Zn(II) complexes |
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