The hydrogen-bonded dimers of L-2-hydroxypropionic were studied by FT-IR and Raman spectroscopies and computational methods. The structures of the possible dimers were calculated at the level of ab initio (HF/6-31G(d,p)) quantum chemical method. Calculations on the isolated monomer and dimers revealed a number of possible conformers. Comparison of the calculated and the measured spectra allowed us to choose the dimers most probably present in the aqueous solution of the acid.
- FT-IR and Raman spectra
- HF/6-31G(d,p) ab initio method
- Hydrogen-bonded dimers
- L-2-Hydroxypropionic acid
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry