Publications by authors named "Connor J Allen"
Article Synopsis
- The study focuses on how traditional trajectory methods struggle to accurately describe selectivity in reactions where tunneling, a nuclear quantum effect, plays a critical role.* -
- The researchers utilized ring-polymer molecular dynamics (RPMD) to better understand the unusual isotope effect on regioselectivity during hydroboration reactions of alkenes with BH/BD.* -
- Findings indicate that RPMD successfully explains the observed selectivity, which is primarily influenced by tunneling at the initial collision of reactants, surpassing the predictions made by classical and statistical methods.*
Boroxinate complexes of VAPOL and VANOL are a chiral anionic platform that can serve as a versatile staging arena for asymmetric catalysis. The structural underpinning of the platform is a chiral polyborate core that covalently links together alcohols (or phenols) and vaulted biaryl ligands. The polyborate platform is assembled in situ by the substrate of the reaction, and thus a multiplex of chiral catalysts can be rapidly assembled from various alcohols (or phenols) and bis-phenol ligands for screening of catalyst activity.
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