Solid state thermal and spectroscopic studies on the antibiotic amoxicillin trihydrate

Thermogravimetry (TG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and Fourier transformed infrared spectroscopy (IR) were used to study amoxicillin trihydrate. The thermal behavior and physical properties of the studied compound were established and coupled TG-IR analyses were used to suggest some decomposition products. In this investigation, quantum chemical approach was used to determine the molecular structures using Becke three-parameter hybrid method and the Lee–Yang–Par (LYP) correlation functional. The performed molecular calculations in this work were done using the Gaussian 09 routine. The theoretical calculations helped us interpret the IR spectra, which supply structural and physicochemical information.