Thermal stabilities,electronic properties and structures of metformin-metal complexes |
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Authors: | A. M. Donia M. K. Awad |
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Affiliation: | (1) Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom, Egypt;(2) Department of Chemistry, Faculty of Science, Tanta University, Tanta, Egypt |
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Abstract: | The atomic superposition and electron delocalization molecular orbital (ASED-MO) theory was used to calculate structures and relative stabilities of metformin-metal complexes. The relative stabilities and decomposition pathways were discussed in terms of bond order, binding energy and the nature of charge on the central metal atom. The electronic transitions and their energy gaps were also studied. The optimization of the structures shows that the most stable state is distorted from planarity for CoII and NiII complexes. |
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Keywords: | complexes metformin-metal complexes molecular orbital investigation thermal stabilities |
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