The regioselectivities of the di-π-methane rearrangements of unsymmetrically substituted dibenzobarrelenes have been explored with DFT (UM06-2X). Regioselectivity depends on the intramolecular hydrogen bonding and originates from specific stabilization of the triplet biradical intermediates.
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| http://dx.doi.org/10.1021/ol5024823 | DOI Listing |
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