Speaker
Description
Two-dimensional correlation spectroscopy (2DCOS) is a powerful technique for investigating structural changes initiated by some external perturbation. In this study 2DCOS analysis was applied to temperature-dependent FTIR spectra of ibuprofen powder, over the spectral region 500-2000 cm-1. This region covers key vibrational modes such as aromatic, carbonyl and C–O stretching vibrational modes. The main focus of this study is monitoring the structural dynamics across the melting region of the sample. Using moving window 2D correlation spectroscopy (MW2DCOS) the melting temperature interval was identified, along with the vibrational bands exhibiting the most significant changes during the melting process. Generalised 2D infrared correlation spectra were also generated providing enhanced resolution of overlapping vibrational bands and enabling chronological tracking of vibrational mode changes. The methodology offers a promising tool for characterizing melting and other phase transition behaviour, as well as monitoring the structural dynamics in pharmaceutical crystals.
