A complete assignment of the vibrational spectra of sucrose in aqueous medium based on the SQM methodology and SCRF calculations

- A complete vibrational assignment of sucrose in aqueous medium was performed.
- Sucrose in aqueous solution was characterized by IR, HATR, and Raman spectroscopies.
- The solvent effects for all species were studied using the solvation PCM/SMD model.
- The presence of pure water, sucrose penta-hydrate, and sucrose dihydrate was confirmed.
- The H bond formation in aqueous solution was studied by NBO and AIM investigation.