Physical optical properties and crystal structures of organic 5-sulfosalicylates – Theoretical and experimental study
Abstract A discussion on the possible application of the organic 5-sulfosalicylates as organic materials with tunable optical and non-linear-optical (NLO) properties is performed on the basis of the experimental crystallographic and spectroscopic methods such as single crystal X-ray diffraction, electronic absorption, diffuse reflectance and fluorescence spectroscopy in condense phase, conventional and linear-polarized IR- and Raman spectroscopy in solid-state. The model systems 5-sulfosalicylic acid dihydrate ( 1 ), 4-aminobenzamidinium bis(5-sulfosalicylicilate) monohydrate ( 2 ) and 5-sulfosalicylicilate salt of glycinamide ( 3 ), comparing with the as well as theoretical quantum chemical calculations of the systems neutral 5-sulfosalicylic acid ( I ), its mono-( Ia ) and dianion ( Ib ), respectively.