The squaric acid aggregate in mordenite investigated by Raman spectroscopy

Abstract A more detailed investigation of the squaric acid aggregate within mordenite was undertaken with the use of Raman spectroscopy. The previous reported investigation was limited to the carbonyl stretching region in the IR. In the present work the entire region from 500 to 2000 cm −1 was investigated, revealing rather substantial vibrational shifts of the oxocarbon ring modes in the aggregate. Comparison of such shifts with those observed for the squaric acid (H 2 Sq)/4,4′-bipyridine (Bipy) charge transfer (CT) complex reveals that the interaction is much stronger in the aggregate, a clear effect of the restrict geometry. On the other hand, the shifts observed for the CO stretching modes are rather modest. The comparison of the ring modes present in the Raman spectra of squaric acid, potassium hydrogen squarate, potassium squarate, H 2 Sq/Bipy and squaric acid aggregate in mordenite strongly suggests that in the latter hydrogen bonded species are present.