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• W2611008727 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 (4f2 6s1 ) 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.
• W2611008727 created "2017-05-12" @default.
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• W2611008727 date "2017-05-08" @default.
• W2611008727 modified "2023-10-11" @default.
• W2611008727 title "PrB ₇ ⁻ : A Praseodymium‐Doped Boron Cluster with a Pr ^II Center Coordinated by a Doubly Aromatic Planar η ⁷ ‐B ₇ ³⁻ Ligand" @default.
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• W2611008727 doi "https://doi.org/10.1002/anie.201703111" @default.
• W2611008727 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28481035" @default.
• W2611008727 hasPublicationYear "2017" @default.
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