The smallest 4f-metalla-aromatic molecule of cyclo-PrB₂ ^- with Pr-B multiple bonds.

ABSTRACT: The concept of metalla-aromaticity proposed by Thorn-Hoffmann (Nouv. J. Chim. 1979, 3, 39) has been expanded to organometallic molecules of transition metals that have more than one independent electron-delocalized system. Lanthanides, with highly contracted 4f atomic orbitals, are rarely found in multiply aromatic systems. Here we report the discovery of a doubly aromatic triatomic lanthanide-boron molecule PrB₂ ^- based on a joint photoelectron spectroscopy and quantum chemical investigation. Global minimum structural searches reveal that PrB₂ ^- has a C _2v triangular structure with a paramagnetic triplet ³B₂ electronic ground state, which can be viewed as featuring a trivalent Pr(III,f²)

SUBMITTER: Wang ZL 

PROVIDER: S-EPMC9430590 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature