DFT study on the bonding properties of Pu(III) and Pu(IV) chloro complexes
- Title
- DFT study on the bonding properties of Pu(III) and Pu(IV) chloro complexes
- Author
- 배성철
- Keywords
- Pyroprocess; plutonium; calculation; nuclear reactor; chemical bonding; DFT; NMR
- Issue Date
- 2018-02
- Publisher
- TAYLOR & FRANCIS LTD
- Citation
- JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, v. 55, no. 4, page. 424-428
- Abstract
- 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.
- URI
- https://www.tandfonline.com/doi/abs/10.1080/00223131.2017.1412365?journalCode=tnst20https://repository.hanyang.ac.kr/handle/20.500.11754/117542
- ISSN
- 0022-3131; 1881-1248
- DOI
- 10.1080/00223131.2017.1412365
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > ARCHITECTURAL ENGINEERING(건축공학부) > Articles
- Files in This Item:
There are no files associated with this item.
- Export
- RIS (EndNote)
- XLS (Excel)
- XML