Lithium, vinyloxidation

TABLE 6. Computed reaction and activation energies and corresponding isotope effects for the sequence of reactions between lithium vinyloxide (LiEn) and formaldehyde and between the hthium enolate of acetone (AcCH2Li) and acetaldehyde. Reproduced with permission from Reference 29. Copyright 1998 American Chemical Society... 

Pratt and Streitwieser performed ab initio (HF/6-31G and HF/6-311-FG ) calculations to examine the formation of mixed dimer and trimer aggregates between the lithium enolate of acetaldehyde (lithium vinyloxide, LiOVi) and lithium chloride, lithium bromide and lithium amides. Gas-phase calculations showed that in the absence of solvation effects, the mixed trimer (LiOVi)2 LiX (20) was the most favored species. 

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