Asian
Journal of Physics

Vol  6, No 4, October-December, 1997

Vol 6, No 4 (1997) 477-491

Study of the torsion, inversion and tilt angle variation of the amino group in some local anesthetics
M ALCOLEA PALAFOX
Departamento de Quìmica-Fìsica I (Espectroscopia) Facultad de Ciencias Quìmicas.
Universidad Complutense, Madrid-28040, SPAIN

In the p-amino group of the local anesthetics Benzocaine and Procaine of free basis, the pathway of minimum energy was obtained, corresponding to the torsion and inversion motions with a simultaneous change of the tilt angle, using the AM 1 and CNDO/2 semiempirical methods. The optimum geometric parameters and related potential functions were determined. The Raman bands in the 100-600 cm^-1 range were recorded and identified.