FT IR, FT-Raman spectra and chemical computations of herbicide 2-phenoxy propionic acid - A DFT approach

- Strong intermolecular OH⋯O H-bonding interactions enhance the stability of the molecule.
- Hyperconjugative interactions in the phenyl ring causes more delocalization in the ring.
- Red shift of OH stretching band in IR shows clear evidence of the occurrence of OH⋯O interaction.
- Carboxyl-end of the molecule behaves as an active site as it is electron rich relative to the phenyl end.