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- W4239198265 abstract "The structure and bonding of a Pr-doped boron cluster (PrB7−) are investigated using photoelectron spectroscopy and quantum chemistry. The adiabatic electron detachment energy of PrB7− is found to be low [1.47(8) eV]. A large energy gap is observed between the first and second detachment features, indicating a highly stable neutral PrB7. Global minimum searches and comparison between experiment and theory show that PrB7− has a half-sandwich structure with C6v symmetry. Chemical bonding analyses show that PrB7− can be viewed as a PrII[η7-B73−] complex with three unpaired electrons, corresponding to a Pr (4f26s1) open-shell configuration. Upon detachment of the 6s electron, the neutral PrB7 cluster is a highly stable PrIII[η7-B73−] complex with Pr in its favorite +3 oxidation state. The B73− ligand is found to be highly stable and doubly aromatic with six delocalized π and six delocalized σ electrons and should exist for a series of lanthanide MIII[η7-B73−] complexes." @default.
- W4239198265 created "2022-05-12" @default.
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- W4239198265 date "2017-05-08" @default.
- W4239198265 modified "2023-09-28" @default.
- W4239198265 title "PrB <sub>7</sub> <sup>−</sup> : A Praseodymium‐Doped Boron Cluster with a Pr <sup>II</sup> Center Coordinated by a Doubly Aromatic Planar η <sup>7</sup> ‐B <sub>7</sub> <sup>3−</sup> Ligand" @default.
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- W4239198265 doi "https://doi.org/10.1002/ange.201703111" @default.
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