Evidence for actinide metal to ligand π backbonding. Density functional investigations of the electronic structure of [{(NH₂)₃(NH₃)U}₂(µ²-η²:η²-N₂)]

Abstract

The electronic structure of [{(NH₂)₃(NH₃)U}₂(µ²-η²:η²-N₂)], a model for the first dinitrogen compound of an actinide, is investigated computationally using quasi-relativistic non-local density functional theory; the only significant U–N₂–U interaction is found to be U→N₂ π backbonding.

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