Tuning the coordination number of hydroxypyridonate-based gadolinium complexes: implications for MRI contrast agents |
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Authors: | Pierre Valérie C Botta Mauro Aime Silvio Raymond Kenneth N |
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Institution: | Department of Chemistry, University of California, Berkeley, California 94720-1460, USA. |
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Abstract: | Eight-coordinate hydroxypyridinone/terephthalamide GdIII complexes display high relaxivities due to their two inner sphere water molecules. This relaxivity can be further increased by functionalizing the terephthalamide moiety with an amine. A significant hydrogen bonding interaction between the amine and another water molecule close to the GdIII apparently facilitates its coordination on the open site of the metal. The resulting nine-coordinate complex has three inner sphere water molecules, while maintaining high stability and fast ligand exchange rates. |
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