Correction: Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization.

[This corrects the article DOI: 10.1039/C8SC03170C.].

Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization.

We present the in-depth determination of the magnetic properties and electronic structure of the luminescent and volatile dysprosium-based single molecule magnet [Dy2(bpm)(fod)6] (Hfod = 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione, bpm = 2,2'-bipyrimidine). Ab initio calculations were used to obtain a global picture of the electronic structure and to predict possible single molecule magnet behaviour, confirmed by experiments. The orientation of the susceptibility tensor was determined by means of cantilever torque magnetometry. An experimental determination of the electronic structure of the lanthanide ion was obtained combining Luminescence, Far Infrared and Magnetic Circular Dichroism spectroscopies. Fitting these energies to the full single ion plus crystal field Hamiltonian allowed determination of the eigenstates and crystal field parameters of a lanthanide complex without symmetry idealization. We then discuss the impact of a stepwise symmetry idealization on the modelling of the experimental data. This result is particularly important in view of the misleading outcomes that are often obtained when the symmetry of lanthanide complexes is idealized.

Bismuth Undecahydro-closo-dodecaborane: A Retainable Intermediate of B-H Bond Activation by Bismuth(III) Cations.

The [B12 H12](2-) anion shows an extensive substitutional chemistry based on its three-dimensional aromaticity. The replacement of functional groups can be attained by electrophilically induced substitution caused by Brønsted or Lewis acidic electrophiles (e.g. Pt(2+)). Until now, it was impossible to structurally characterize a metal-substituted [B12 H12](2-) cage. When an aqueous solution containing both Bi(3+) cations and [B12 H12](2-) anions was heated, the charge-neutral bismuth undecahydro-closo-dodecaborane BiB12 H11 was obtained, representing a new class of metalated [B12 H12](2-) clusters. The title compound was characterized by single-crystal X-ray diffraction and NMR spectroscopic methods. Compared to the typical B-H bond, the short B-Bi single bond (230 pm) exhibits inverted polarity.