THEORETICAL DETERMINATION OF INVERSION FR EQUENCY OF THE AMINO GROUP IN BENZOCAINE AND PROCAINE

Authors
PALAFOX MA
Citation
Ma. Palafox, THEORETICAL DETERMINATION OF INVERSION FR EQUENCY OF THE AMINO GROUP IN BENZOCAINE AND PROCAINE, Revue Roumaine de Chimie, 38(11), 1993, pp. 1371-1384
Citations number
27
Categorie Soggetti
Chemistry
Journal title
Revue Roumaine de Chimie → ACNP
ISSN journal
00353930
Volume
38
Issue
11
Year of publication
1993
Pages
1371 - 1384
Database
ISI
SICI code
0035-3930(1993)38:11<1371:TDOIFE>2.0.ZU;2-G
Abstract
The potential inversion function in p-amino group was determined by CN DO/2 method in benzocaine and procaine. Using five different methods, the theoretical inversion frequencies in NH2, NHD and ND2 groups were calculated. These values were compared with the experimental frequenci es from infrared and Laser-Raman spectroscopy.