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Nature Research, Nature Communications, 1(12), 2021

DOI: 10.1038/s41467-021-26785-9

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Monovalent lanthanide(I) in borozene complexes

Journal article published in 2021 by Wan-Lu Li ORCID, Teng Chen, Wei-Jia Chen ORCID, Jun Li ORCID, Lai-Sheng Wang ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

AbstractLanthanide (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.