AB-INITIO STUDY OF LITHIATED N-METHYLPYRIDONES

Ab initio calculations were performed on the N-methylpyridones lithiat ed on the aromatic ring using a 6-31G basis set. Whenever the lithium atom is on a carbon adjacent to the carbonylic group, a bridged struc ture is obtained where lithium is coordinated to both carbon and oxyge n; these structures are the most stable isomers. (C) 1996 John Wiley & Sons, Inc.