Among five methods in predicting intersystem crossing of TADF molecules, NTO similarity and n-orbital analyses based on the T₁ structure were found to be efficient with low computational costs and high accuracy.

We report a new octahedral luminescent SMM exhibiting massive crystal-field splitting and an anisotropic barrier of 1385 cm ⁻¹ .

We report the synthesis and magnetic properties of a series of new organometallic homoleptic complexes Li(DME)₃[Ln(DAD)₂] (Ln = Dy (1a, 1b), Tb(2), and Er(3)).

Herein we explored the transitions of two magnetic interaction states (antiferromagnetic or ferromagnetic) upon structural variations in two dinuclear Dy(iii) complexes.

Dihalogen edge modification can effectively break the magnetic degeneracy of the pristine zSiCNRs and significantly enhance edge stability.