The aggregation behaviour of 2H-imidazole-2-thione derivatives in solution, the solid state and over polycrystalline gold surface.

Abstract The structure-forming properties of three 2 H -imidazole 2-thione derivatives were investigated in solution, the solid state as well as over polycrystalline gold surface. The molecules were synthesized in one of our labs, and their interactions were investigated by a range of instrumental methods (FT-IR spectroscopy, FT-IR and FT-Raman microscopies, scanning electron and atomic force microscopies) as well as molecular modelling. Short-range (in solution; N H⋯S hydrogen bonding) as well as long-range ordering (in the crystalline form; S H⋯N hydrogen bonding) of the molecules were observed, and pillared-like structures were seen over the polycrystalline surface. Highlights • Intermolecular interactions of 2H-imidazole thiones were studied. • H-bearing imidazole N and S are involved in H-bonding in solution and the solid state. • Over Au surface S Au coordination bonds fix the first layer, while long-range ordering is via S H⋯N H-bonding. • Verification is with IR and Raman spectroscopies and atomic force microscopy. [ABSTRACT FROM AUTHOR]