Mixed Aggregates of 1-Methoxyallenyllithium with Lithium Chloride
@article{Pratt2014MixedAO,
title={Mixed Aggregates of 1-Methoxyallenyllithium with Lithium Chloride},
author={L. M. Pratt and Darryl D. Dixon and M. A. Tius},
journal={ChemistryOpen},
year={2014},
volume={3},
pages={250 - 255}
}A combined computational and 13C NMR study was used to investigate the formation of mixed aggregates of 1-methoxyallenyllithium and lithium chloride in tetrahydrofuran (THF) solution. The observed and calculated chemical shifts, as well as the calculated free energies of mixed aggregate formation (MP2/6-31+G(d)), are consistent with the formation of a mixed dimer as the major species in solution. Free energies of mixed dimer, trimer, and tetramer formation were calculated by using the B3LYP and… CONTINUE READING
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