Highlights with ‘heavy elements’

Modeling the 32 Electron Rule for Heavy Element Compounds

Inorganic chemists are all familiar with the “18-electron rule” for transition metal complexes.   Logically, this leads to a 32-electron rule for inner transition complexes, in which the f orbitals must also play a role....

ZORA DFT explains subtle 129-Xe NMR parameters

Xenon-129 NMR is a powerful technique to probe the characteristics of of surfaces, porous media and solutions, because of its extreme sensitivity to external perturbations. Accurate calculations can help to interpret experimental results which are...

Encapsulated actinides predicted to fulfill 32-electron rule

Jean-Pierre Dognon, Carine Clavaguéra, and Pekka Pyykkö have predicted a new class of compounds that fulfill the 32-electron rule. In a recent Chemical Science paper, highlighted in Nature Chemistry, they have studied the properties of...