Lithium Phenolates Solvated by Tetrahydrofuran and 1,2-Dimethoxyethane: Structure Determination Using the Method of Continuous Variation

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• 作者：Timothy S. De Vries ; Anandarup Goswami ; Lara R. Liou ; Jocelyn M. Gruver ; Emily Jayne ; David B. Collum
• 刊名：Journal of the American Chemical Society
• 出版年：2009
• 出版时间：September 16, 2009
• 年：2009
• 卷：131
• 期：36
• 页码：13142-13154
• 全文大小：523K
• 年卷期：v.131,no.36(September 16, 2009)
• ISSN：1520-5126

文摘

The method of continuous variation in conjunction with ⁶Li NMR spectroscopy was used to characterize lithium phenolates solvated by tetrahydrofuran and 1,2-dimethoxyethane. The strategy relies on the formation of ensembles of homo- and heteroaggregated phenolates. The symmetries and concentration dependencies of the heteroaggregates attest to the aggregation numbers of the homoaggregates. The structurally diverse phenols afford substrate- and solvent-dependent combinations of lithium phenolate monomers, dimers, trimers, tetramers, and pentamers. We discuss the refinement of protocols for characterizing O-lithiated species. Computational studies examine further the substituent and solvent dependencies of aggregation.