Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements
Yang Liu, Cong‐Zhi Wang, Qun‐Yan Wu, Jian‐Hui Lan, Zhifang Chai, Qi Liu, Wei‐Qun Shi
Abstract
. Consequently, the covalency between the DAPhen derivatives and transplutonium actinides seems to be positively correlated with the extraction ability of these ligands. Nevertheless, these ligands exhibit diverse separation abilities to in-group actinide recovery. Therefore, the enhancement of covalency does not necessarily lead to the improvement of separation ability due to different extraction capabilities. We hope that these results will provide some inspiration for designing novel ligands for in-group transplutonium separation.
Topics & Concepts
ChemistryPhenanthrolineSeparation (statistics)Computational chemistryCombinatorial chemistryOrganic chemistryMachine learningComputer scienceRadioactive element chemistry and processingChemical Synthesis and CharacterizationExtraction and Separation Processes