THE PREDICTION OF THE B-11 NMR SIGNAL POSITIONS OF TRIGONAL BORANES USING STATISTICAL-METHODS .2. THE USE OF SYMMETRICAL MODELING TECHNIQUES IN NONORIENTABLE SYSTEMS

The use of symmetrical modeling techniques in non-orientable systems i s discussed with respect to the prediction of the B-11 NMR line positi ons in trigonal boranes. Two mathematical models which utilize the Fie ld (F), Resonance (R), Charton's Steric (nu), and Molar Refractivity ( MR) parameters are presented. When the more precise model, containing 14 variables, is used to predict the line positions of a group of comp ounds from a data base of n = 355, the correlation coefficient of obse rved versus predicted values is r = 0.984 with a standard deviation of s = 3.5.