Photonic Data Science

2D correlation spectroscopy is a useful technique for analyzing chemical reactions. We studied the acid catalyzed dehydration of 3 - octanol at 150 °C with FT Raman, FT ATR IR and 1H NMR and evaluated the use of 2D correlation spectroscopy in particular the correlation of spectroscopic data from different methods with one another. This 2D hetero correlation approach proved to be useful in validating the signal assignment but otherwise limited in use. We could also show that all four possible octene isomers are forming over the course of the reaction.