VIBRATIONAL-SPECTRUM OF 3-METHYL AND 4-METHYLPYRIDINE

The assignments of the vibrational spectra of the 3-methyl and 4-methy lpyridine molecules have been carried out following the SQMFF methodol ogy (scaled quantum mechanical force field). The theoretical frequenci es have been obtained by calculating the RHF/3-21G force field, using the scale factors for pyridine and 2-methylpyridine and are correlated in a satisfactory manner with the frequencies recorded in the IR and Raman of these methyl derivatives. (C) 1998 Elsevier Science B.V. All rights reserved.