Luminescent Copper(I)‐Complexes with an Anionic NHC obtained via a Coordination Polymer as Versatile Precursor

The anionic diamido N-heterocyclic carbene 1 is used to prepare a series of linear as well trigonal, heteroleptic CuI complexes with small molecular ligands such pyridine derivatives or triphenylphosphine. A key role lies in the versatile precursor for these complexes, moisture- and air-stable 1D coordination polymer [1·Cu]n composed only NHC ligand CuI, that copper linearly coordinated by carbon atom one oxygen backbone carbene. This can easily be cleaved into monomeric addition desired dispersions dichloromethane. In solution, are equilibrium this highly insoluble free ligand. Thus, analytical spectroscopical experiments compounds limited their crystalline state, characterized single crystal X-ray diffraction experiments. Some exhibit visible luminescence solid state upon irradiation ultraviolet light. spectral features (emission wavelength, Stokes shift, width emission band, vibrational fine structure) significantly differ among complexes. Quantum mechanical computations reveal subtle interplay several factors number charge transfer character emissive state.