title: Lithium phenolates solvated by tetrahydrofuran and 1,2-dimethoxyethane: structure determination using the method of continuous variation.
abstract: The method of continuous variation in conjunction with (6)Li 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.
authors.affiliation: Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853-1301, USA.
authors.forename: Timothy S
authors.initials: TS
authors.lastname: De Vries
authors.forename: Anandarup
authors.initials: A
authors.lastname: Goswami
authors.forename: Lara R
authors.initials: LR
authors.lastname: Liou
authors.forename: Jocelyn M
authors.initials: JM
authors.lastname: Gruver
authors.forename: Emily
authors.initials: E
authors.lastname: Jayne
authors.forename: David B
authors.initials: DB
authors.lastname: Collum
mesh_terms: D005019:Ethyl Ethers / Q000737:chemistry; D005663:Furans / Q000737:chemistry; D008094:Lithium / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D010636:Phenols / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry
chemical_list: D005019:Ethyl Ethers; D005663:Furans; D010636:Phenols; D012997:Solvents; C018674:tetrahydrofuran; D008094:Lithium; C024683:1,2-dimethoxyethane
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