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Unravelling the Water Dynamics and Structure of Water-Coordinated Metal Complexes


In recent decades, structural properties and applications of lanthanide complexes with dibenzoylmethane (DBM) ligands have garnered considerable attention. However, the mechanisms underlying the formation of symmetric structure of such complexes, such as Ho(III) aqua-tris(dibenzoylmethane), remains unclear. Researchers from Chiba University have now developed a novel molecular dynamics simulation approach, which revealed that hydrogen bonds of water in these coordinated metal complexes have the same lifetime as that in bulk water.


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