Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages.
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DOI: 10.1021/jacs.2c04179
Abstract: The results of quantum chemical and molecular dynamics calculations reveal that polyanionic gallium-based cages accelerate cyclization reactions of pentadienyl alcohols as a result of substrate cage interactions, preferential binding of reactive conformations of substrate/H3O+ pairs,… read more here.
Keywords: source rate; acceleration carbocation; rate acceleration; cyclization ... See more keywords