Computational bottom-up design of ytterbium(II) complex with pyridyl amido ligand

Abstract

Having been designed via bottom-up strategy based on density functional theory(DFT) calculations, a complex of ytterbium(II) with pyridyl amido ligand was successfully synthesized by one-pot reaction in laboratory. DFT calculation shows that pyridyl amido ligands can stabilize the complex via steric and electron effect. This success in integrating computation with synthesis will inspire more explorations in the development of a new complex in lanthanide chemistry.

Keywords

Amido ligand / Lanthanide chemistry / Density functional theory

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