Author/Authors :
Gourlaouen، نويسنده , , C. and Parisel، نويسنده , , O. and Piquemal، نويسنده , , J.-P.، نويسنده ,
Abstract :
The present contribution reports investigations on the metal-ligand bond lengths and interaction energies in selected carbon monoxide complexes of metal cations sharing the ns2np0 valence configuration. 1- and 4-component DFT geometry optimizations have been performed for cations ranging from Ge2+ to Uuq2+, the dication of element 114 (Ununquadium). The nature of the bonding has been studied by means of energy decomposition analysis.
gnitude of the relativistic effects is shown to evolve slowly and to become predominant for Uuq for the molecular properties investigated.
