Abstract
Theoretical ab initio (3-STO) and semiempiric (PM3) IR spectra of isolated B 6 vitamin (pyridoxine hydrochloride) molecule have been obtained and found in good agreement with the experimental IR spectrum. FT-Raman spectrum of the B 6 vitamin in solid polycrystalline state, polarised Raman as well as the Raman and SERS spectra on Ag colloidal surface at different pH have been recorded and discussed. The protonated or deprotonated form of the B 6 molecule was evidenced from the pH dependence Raman spectra. SERS bands associated to the chemical interaction between the deprotonated N ring atom and Ag colloidal particles were absent. Compared to related polysubstituted pyridine molecules, a different SERS behaviour of B 6 molecule was concluded.
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