AB INITIO STUDY OF LITHIATED N-METHYLPYRIDONES

摘要

Ab initio calculations were performed on the N-methylpyridones lithiated 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 structure is obtained where lithium is coordinated to both carbon and oxygen; these structures are the most stable isomers. (C) 1996 John Wiley & Sons, Inc. [References: 13]