Investigating the H‑Bond Network of Pyridine-Water Aqueous Solutions by Raman Spectroscopy and DFT.

ABSTRACT: A pyridine (C₅H₅N)-water (H₂O) binary solution under different mole fractions was investigated by using Raman spectroscopy (spontaneous Raman spectroscopy and stimulated Raman scattering) combined with density functional theory (DFT). The results showed that the Raman spectra of O: H nonbond and O-H stretching vibrations of H₂O have irregular blue shifts as the molar fraction of C₅H₅N increases in the C₅H₅N-H₂O binary solution. Meanwhile, the wavenumbers of the symmetric ring breathing mode, triangle mode, and C-H stretching vibration mode of C₅H₅N move toward a higher wavenumber upon dilution. This phenomenon mainly resulted from the variation of intermolecular hydrogen

SUBMITTER: Qu Y 

PROVIDER: S-EPMC12809326 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature