Metal–Ligand Interactions in Scandium Complexes with Radiopharmaceutical Applications
Attila Kovács
Abstract:The radioisotopes
of scandium (43Sc, 44Sc,
and 47Sc) are potential candidates for use in imaging and
therapy both separately and as elementally matched pairs for radiotheranostics.
In the present study the bonding interactions of Sc3+ with
18 hepta- to decadentate ligands are compared using density functional
theory (DFT) calculations. The bonding analysis is based on the natural
bond orbital (NBO) model. The main contributions to the bonding were
assessed using natural energy decomposition analysis (NEDA). Mo… Show more
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