Structure and Bonding Investigation of Plutonium Peroxocarbonate Complexes Using Cerium Surrogates and Electronic Structure Modeling
| Autor: | Lucas E. Sweet, Jochen Autschbach, Jon M. Schwantes, Leah M. Arrigo, Jordan F. Corbey, Kate L. Ziegelgruber, Bruce K. McNamara, Shane M. Peper, Frédéric Gendron |
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| Rok vydání: | 2016 |
| Předmět: |
010405 organic chemistry
Chemistry chemistry.chemical_element Electronic structure Crystal structure 010402 general chemistry Alkali metal 01 natural sciences 0104 chemical sciences Plutonium Inorganic Chemistry symbols.namesake Crystallography Cerium symbols Density functional theory Physical and Theoretical Chemistry Raman spectroscopy |
| Zdroj: | Inorganic chemistry. 56(2) |
| ISSN: | 1520-510X |
| Popis: | Herein, we report the synthesis and structural characterization of K8[(CO3)3Pu]2(μ-η2-η2-O2)2·12H2O. This is the second Pu-containing addition to the previously studied alkali-metal peroxocarbonate series M8[(CO3)3A]2(μ-η2-η2-O2)2·xH2O (M = alkali metal; A = Ce or Pu; x = 8, 10, 12, or 18), for which only the M = Na analogue has been previously reported when A = Pu. The previously reported crystal structure for Na8[(CO3)3Pu]2(μ-η2-η2-O2)2·12H2O is not isomorphous with its known Ce analogue. However, a new synthetic route to these M8[(CO3)3A]2(μ-η2-η2-O2)2·12H2O complexes, described below, has produced crystals of Na8[(CO3)3Ce]2(μ-η2-η2-O2)2·12H2O that are isomorphous with the previously reported Pu analogue. Via this synthetic method, the M = Na, K, Rb, and Cs salts of M8[(CO3)3Ce]2(μ-η2-η2-O2)2·xH2O have also been synthesized for a systematic structural comparison with each other and the available Pu analogues using single-crystal X-ray diffraction, Raman spectroscopy, and density functional theory calcu... |
| Databáze: | OpenAIRE |
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