| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5228358 | Tetrahedron | 2008 | 8 Pages |
Abstract
The formation of alkyllithium-lithium methoxide mixed aggregates was modeled with the B3LYP density functional method. In the gas phase there was little tendency to form mixed dimers or trimers. Mixed tetramer formation was more energetically favorable, particularly for tert-butyllithium. THF solvation favored the formation of methyllithium and ethyllithium mixed tetramers, but not those of sec-butyllithium and tert-butyllithium. The potential for resolution of chiral alkyllithiums by mixed aggregate formation with enantiomerically pure lithium alkoxides was examined.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Lawrence M. Pratt, Ohyun Kwon, Thanh Chi Ho, Ngan Van Nguyen,