Reactions of lithium carbenoids, lithium enolates, and mixed aggregates

This project, conducted by Larry Pratt of Fisk University, was awarded 400,000 hours in 2006 and 150,000 hours (initially) in 2007. Pratt uses the Gaussian software package with its ab initio and density functional theory (DFT) methods to investigate the structure and reactions of some important organolithium compounds. These include lithium enolates, which are among the most important reagents for forming carboncarbon bonds in organic synthesis. Detailed reaction mechanisms for these compounds remain unknown, and may involve several reactive species. This will lead to a better understanding of the reaction pathways and to alter the reactions by way of mixed aggregates with other lithium compounds.