Gas phase and solution structures of 1-methoxyallenyllithium.
@article{Dixon2009GasPA, title={Gas phase and solution structures of 1-methoxyallenyllithium.}, author={Darryl D. Dixon and M. A. Tius and L. M. Pratt}, journal={The Journal of organic chemistry}, year={2009}, volume={74 16}, pages={ 5881-6 } }
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.
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