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Jeong, Keunhong; Woo, Seung Min; Bae, Sungchul, E-mail: doas1mind@kma.ac.kr2018
AbstractAbstract
[en] Understanding of chemical bonding is a fundamentally important topic. Given the importance of bonding studies, we performed quantum calculations on plutonium chloro complexes (PuClx(III) and PuClx(IV)) that are believed to form as molten chloride salts during nuclear waste treatment. The result of these calculations was verified by comparing them to experimental data on a similar actinide chloro complex. Charge and bond order analyses of the complexes provide insight into the electronic properties, bonding, and nuclear magnetic resonance characteristics of the plutonium chloro complexes. The chemical shift of the Pu(III) complexes are found to be negative while those of Pu(IV) are positive. (author)
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Source
Available from http://dx.doi.org/10.1080/00223131.2017.1412365; 24 refs., 5 figs.
Record Type
Journal Article
Journal
Journal of Nuclear Science and Technology (Tokyo) (Online); ISSN 1881-1248;
; v. 55(4); p. 424-428

Country of publication
ACTINIDE COMPLEXES, ACTINIDE COMPOUNDS, BUTYL PHOSPHATES, CALCULATION METHODS, CHLORIDES, CHLORINE COMPOUNDS, COMPLEXES, ESTERS, FABRICATION, FUEL CYCLE, HALIDES, HALOGEN COMPOUNDS, JOINING, MATERIALS, ORGANIC COMPOUNDS, ORGANIC PHOSPHORUS COMPOUNDS, PHOSPHORIC ACID ESTERS, PLUTONIUM COMPOUNDS, PLUTONIUM HALIDES, RADIOACTIVE MATERIALS, REPROCESSING, SEPARATION PROCESSES, TRANSURANIUM COMPLEXES, TRANSURANIUM COMPOUNDS, VARIATIONAL METHODS, WASTES
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