Molecular Mechanics, Laser Raman and Infrared Studies of 1-Hetera-2,6-diphenyl-3-alkyl-4-piperidone

Abstract

Raman and infrared spectra of solid l-hetera-2,6-diphenyl-3-methyl-4-

piperidone and 1-hetera-2, 6-diphenyl-3-ethyl-4-piperidone have been

measured. The vibrational assignments have been made for both the

molecules. The ethyl substitute in 3-position makes a shift in the vibrational

frequencies. A discussion is given on the assignment of both stronger and

weaker bonds to fundamental vibrational frequencies. To study about the

structure and confirmation of the above molecules, molecular mechanics

calculations have been performed. The minimum energy structures of the

molecules have been discussed.