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Crystal Structures Of Dotma Chelates From Ce³+ To Yb³+ : Evidence For A Continuum Of Metal Ion Hydration States, Mark Woods, Katherine M. Payne, Edward J. Valente, Benjamin E. Kucera, Victor G. Young

Chemistry Faculty Publications and Presentations

The crystal structures of chelates formed between each stable paramagnetic lanthanide ion and DOTMA are described. A total of 23 individual chelates structures were obtained, in each chelate the coordination geometry around the metal ion is best described as a twisted square antiprism (torsion angle -25.0° – - 31.4°). Despite the uniformity of the general coordination geometry provided by the DOTMA ligand, there is a considerable variation in the hydration state of each chelate. The early Ln3⁺ chelates are associated with a single inner sphere water molecule, the Ln-OH₂ interaction is remarkable for being very long. After a …