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Monovalent lanthanide(I) in borozene complexes.


ABSTRACT: Lanthanide (Ln) elements are generally found in the oxidation state +II or +III, and a few examples of +IV and +V compounds have also been reported. In contrast, monovalent Ln(+I) complexes remain scarce. Here we combine photoelectron spectroscopy and theoretical calculations to study Ln-doped octa-boron clusters (LnB8-, Ln = La, Pr, Tb, Tm, Yb) with the rare +I oxidation state. The global minimum of the LnB8- species changes from Cs to C7v symmetry accompanied by an oxidation-state change from +III to +I from the early to late lanthanides. All the C7v-LnB8- clusters can be viewed as a monovalent Ln(I) coordinated by a η8-B82- doubly aromatic ligand. The B73-, B82-, and B9- series of aromatic boron clusters are analogous to the classical aromatic hydrocarbon molecules, C5H5-, C6H6, and C7H7+, respectively, with similar trends of size and charge state and they are named collectively as "borozenes". Lanthanides with variable oxidation states and magnetic properties may be formed with different borozenes.

SUBMITTER: Li WL 

PROVIDER: S-EPMC8578558 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature

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Monovalent lanthanide(I) in borozene complexes.

Li Wan-Lu WL   Chen Teng-Teng TT   Chen Wei-Jia WJ   Li Jun J   Wang Lai-Sheng LS  

Nature communications 20211109 1


Lanthanide (Ln) elements are generally found in the oxidation state +II or +III, and a few examples of +IV and +V compounds have also been reported. In contrast, monovalent Ln(+I) complexes remain scarce. Here we combine photoelectron spectroscopy and theoretical calculations to study Ln-doped octa-boron clusters (LnB<sub>8</sub><sup>-</sup>, Ln = La, Pr, Tb, Tm, Yb) with the rare +I oxidation state. The global minimum of the LnB<sub>8</sub><sup>-</sup> species changes from C<sub>s</sub> to C<su  ...[more]

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