Structural Evolution and 5f Orbitals Participation in Inverse Sandwich Actinide Boride Clusters: A Theoretical Study of An <sub>2</sub> B <sub>9</sub> <sup>–</sup> and An <sub>2</sub> B <sub>10</sub> (An = Th, Pa, U)
) reveal the U-U 5f orbital interactions and show that the U 6d-involved PISOs pairs make a dominating contribution to the coordination interaction energy of the complex, whereas the U 5f-based PISO pairs also contribute substantially to the stability of the cluster.
Institutions
- Shanxi Agricultural University (CN)
- Shanxi University of Traditional Chinese Medicine (CN)
- Institute of Quality Standards and Testing Technology for Agro Products (CN)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2026-05-18
- DOI
- https://doi.org/10.1021/acs.inorgchem.6c01519
- Primary Topic
- Boron Compounds in Chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00