New Computational Collaboration – Online Today in J. Am. Chem. Soc.

Today we are pleased to announce publication of a collaborative study with Prof. Yu Lan’s group at Zhengzhou University elucidating the mechanism of nickel-catalyzed conjunctive cross-coupling reactions of alkenes, aryl iodides, and organozinc reagents, which reveals a previously under-appreciated role of the organozinc reagent as a Z-type ligand that facilitates reductive elimination. This revised mechanistic model explains how this type of conjunctive cross-coupling can proceed under such mild conditions without specialized ligand, despite involving a typically challenging C(sp3)–C(sp3) reductive elimination event. Congrats to the entire project team!

For a link to the paper in J. Am. Chem. Soc., click here:

Kinetic Alkene Isomerization via Tungsten Catalysis – Pre-Print Online

In our newest pre-print posted online today, we continue our explorations of reactions enabled by the W0/WII redox manifold and report the discovery of a mild method for selectively isomerizing γ,δ-unsaturated amides into their β,γ-unsaturated counterparts without “over-isomerization” into conjugation. By controlling the ligand environment around the metal center, stereoselectivity can be controlled to favor either the (Z)- or the (E)-isomer. Though organometallic synthesis, we were able to shed light on some details of the reaction mechanism, highlighted by synthesis of a stable WII(π-Allyl)(OAc) complex that can converted in situ to a WII(π-allyl)(H) species, thereby intercepting a proposed intermediate in the catalytic cycle. Congrats to Tanner, Camile, and Raul!

For a link to the pre-print in ChemRxiv, click here:

Anna Liu is recognized as a 2023 Regeneron STS Scholar

Congrats to Rancho Bernardo High School senior and Engle lab member, Anna Liu, who was selected today as a 2023 Regeneron Science Talent Search Scholars. Anna is one of only 300 awardees selected from a pool of nearly 2,000 applicants from across the United States. Anna has been a member of the Engle lab since November 2022 and has worked under the mentorship of Taeho Kang. Anna recently earned her first publication in the group (Organometallics 2023, 42, 11). We are so proud of you Anna! Congrats on your achievement!

For more information about the Regeneron STS program and a link the announcement, click here: