Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination

Abstract

Silver complexes [Ag(4,5-dicyano-1-methylimidazole)₂]_n[CF₃SO₃]_n (1), [Ag₂(4,5-dicyano-1-methylimidazole)₂][NO₃]₂ (2) and [Ag₂(4,5-dicyano-1-methylimidazole)₂]_n[ClO₃]_2n (3) were synthesized in reactions between 4,5-dicyano-1-methylimidazole and silver salts AgCF₃SO₃, AgNO₃ and AgClO₃. The compounds were characterized via crystallographic and spectroscopic methods. Due to the different counter ions there were variations in the ligand coordination modes and, as a consequence, different types of solid state structures were generated. The absorption characteristics were explained by the simulation of the UV-Vis spectra using the TD-DFT method. Additionally, computational studies were performed in order to discover the effect of the counter ions via various weak intra- and intermolecular interactions present in the solid state structures. The nature of the interactions was further investigated by topological charge density analysis using the QTAIM method.