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The effect of ring size variation on the structure and stability of lanthanide(III) complexes with crown ethers containing picolinate pendants
(Royal Society of Chemistry, 2011-01-14)
[Abstract] The coordination properties of the macrocyclic receptor N,N′-bis[(6-carboxy-2-pyridyl)methylene]-1,10-diaza-15-crown-5 (H2bp15c5) towards the lanthanide ions are reported. Thermodynamic stability constants were ...
Applications of density functional theory (DFT) to investigate the structural, spectroscopic and magnetic properties of lanthanide(III) complexes
(Bentham Science, 2011)
[Abstract] Density functional theory (DFT) has become a general tool to investigate the structure and properties of complicated inorganic molecules, such as lanthanide(III) coordination compounds, due to the high accuracy ...
Stable Mn2+, Cu2+ and Ln3+ complexes with cyclen-based ligands functionalized with picolinate pendant arms
(Royal Society of Chemistry, 2015-01-20)
[Abstract] In this study we present the results of the equilibrium, dissociation kinetics, DFT and X - ray crystallographic studies performed on the complexes of metal ions of biomedical importance (Mn 2+ , Cu 2+ and ...