Bonding with actinides
نویسندگان
چکیده
منابع مشابه
The role of the 5f valence orbitals of early actinides in chemical bonding
One of the long standing debates in actinide chemistry is the level of localization and participation of the actinide 5f valence orbitals in covalent bonds across the actinide series. Here we illuminate the role of the 5f valence orbitals of uranium, neptunium and plutonium in chemical bonding using advanced spectroscopies: actinide M4,5 HR-XANES and 3d4f RIXS. Results reveal that the 5f orbita...
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The application of quantum chemistry to systems containing atoms of the lanthanide (57La 71Lu) and/or actinide (90Th 103Lr) series is a considerable challenge and has been attempted only by a comparatively small number of researchers. Several complications, some of which will be described in the following, prevent standard quantum chemical approaches from being successful in this field in all r...
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recognize +4 and +6 as the main oxidation states for uranium and +4 as the only important oxidation state for thorium; appreciate that coordination numbers of >6 are the norm; be familiar with the main features of the chemistry of the other actinides, and appreciate the transition in chemical behaviour across the series; appreciate the importance of nitrate complexes; recognize the characterist...
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The disposition of actinides, most recently 239Pu from dismantled nuclear weapons, requires effective containment of waste generated by the nuclear fuel cycle. Because actinides (e.g., 239Pu and 237Np) are long-lived, they have a major impact on risk assessments of geologic repositories. Thus, demonstrable, long-term chemical and mechanical durability are essential properties of waste forms for...
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The geometrical and electronic structures of Ln[(H2O)9]3+ and [Ln(BTP)3]3+, where Ln = Ce-Lu, have been evaluated at the density functional level of theory using three related exchange-correlation (xc-)functionals. The BHLYP xc-functional was found to be most accurate, and this, along with the B3LYP functional, was used as the basis for topological studies of the electron density via the quantu...
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ژورنال
عنوان ژورنال: Nature Chemistry
سال: 2017
ISSN: 1755-4330,1755-4349
DOI: 10.1038/nchem.2855