Molecules with a boron-nitrogen bond in place of a carbon-carbon bond, azaborines, are currently being studied for their use in biomedical and materials chemistry applications. We have been investigating the ring closing reaction in the synthesis of BN-pyrene compared to its hydrocarbon analogue. Density Functional Theory calculations and isotopic labeling studies were performed to determine reaction mechanism. We found that BN-pyrene has a unique ability to perform ring closures, and believe that these properties can be applied to other azaborine containing molecules as well.

Computational and experimental study of the final ring closure of BN-pyrene

251st National Meeting (2016)

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