Understanding the Coordination Chemistry of AmIII/CmIII in the DOTA Cavity: Insights from Energetics and Electronic Structure Theory.
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DOI: 10.1021/acs.inorgchem.2c04235
Abstract: The minor actinides Am/Cm show multiple possibilities for coordination, providing great opportunities for their extraction and adsorption separation. Herein, we report complexation in an aqueous medium of AmIII/CmIII in the DOTA (H4DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid)… read more here.
Keywords: amiii cmiii; coordination; chemistry; dota ... See more keywords
Binding affinity of pyridines with AmIII/CmIII elucidated by density functional theory calculations.
Sign Up to like & getrecommendations! Published in 2019 at "Dalton transactions"
DOI: 10.1039/c8dt04669g
Abstract: In recent decades, N-heterocyclic ligands have been extensively used in the separation of lanthanides/actinides, whereas the selective extraction of amercium or curium has been very challenging. Using density functional theory calculations, this study is devoted… read more here.
Keywords: density functional; amiii cmiii; theory calculations; functional theory ... See more keywords