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

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.