Author(s): Dixon DD, Tius MA, Pratt LM
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Abstract A combined computational and (13)C NMR study was used to determine the solution structures of 1-methoxyallenyllithium. The gas phase calculations indicated that this species is aggregated as a hexamer. The NMR spectra in THF solution, together with the calculated aggregation energies and chemical shifts, are consistent with a dimer-tetramer equilibrium.
This article was published in J Org Chem
and referenced in Organic Chemistry: Current Research