MODEL CALCULATIONS ON LIS .2. 2-SUBSTITUTED, 3-SUBSTITUTED AND 7-SUBSTITUTED INDANONES - INFLUENCE OF THE SUBSTITUENTS ON THE LANTHANIDE POSITION USING THE ONE SITE OR 2 SITE MODEL FOR COORDINATION TO THE CARBONYL GROUP

The space close to the coordination site of 1-indanone is modified systematically by placing alkyl groups of different bulkiness on C-2, C-3 and C-7, resp. The1H-LIS for the compounds are interpreted using the one site and two site model for carbonyl. Precautionary measures are discussed for both models to give reliable results in the calculation. © 1979 Springer-Verlag.