Abstract

A strong antibonding π interaction has been shown by density functional calculations (see LUMO MO graph) to be a key characteristic of two new CuI–diazene complexes with hydrotris(pyrazolyl)borate ligands. The complexes have been further characterized by X-ray crystallography as well as 1H NMR, UV/Vis absorption, IR, far-IR, and resonance Raman spectroscopy.

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