Angewandte Chemie - International Edition
Angewandte Chemie - International Edition
5 years ago

PrB7−: A Praseodymium-Doped Boron Cluster with a PrII Center Coordinated by a Doubly Aromatic Planar η7-B73− Ligand

PrB7−: A Praseodymium-Doped Boron Cluster with a PrII Center Coordinated by a Doubly Aromatic Planar η7-B73− Ligand
Teng-Teng Chen, Xin Chen, Wan-Lu Li, Jun Li, Lai-Sheng Wang, Tian Jian
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. Half-sandwich is my favorite: The structure and bonding of a Pr-doped boron cluster (PrB7−; siehe picture) were investigated using photoelectron spectroscopy and quantum-chemical calculations. The B73− ligand is highly stable and doubly aromatic with six delocalized π and six delocalized σ electrons and should exist for a series of lanthanide LnIII[η7-B73−] complexes.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/anie.201703111

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