Investigating the H-bond network of ternary (xylitol-water-acetic acid) aqueous solutions by Raman spectroscopy and DFT

Abstract

Xylitol, an important sugar substitute, has been widely used in the food and medicine industries, so it is necessary to study the weak interactions between xylitol and other substances. Herein, the H-bonds of ternary solutions comprising xylitol, water, and acetic acid were investigated by Raman spectroscopy and density functional theory (DFT). The generation of an H-bond network between the O–H functional group of xylitol and the C=O of acetic acid was confirmed by a significant new Raman peak at 1639 cm−1. In addition, the H-bond network of water was deformed by the intensive water-acid interactions, leading to a robust Raman peak blue-shift of the O–H stretching vibration. The results are of significance for understanding the effect of acid on xylitol and help further study the H-bond network in complex ternary solutions.