Dean J Tantillo

Apr 9, 2024 | dx.doi.org | Dean J Tantillo

Jan 9, 2024 | pubs.acs.org | Wentao Guo |Dean J Tantillo

Thursday, February 29, 2024 Please be aware that pubs.acs.org is undergoing maintenance that may have an impact on your experience. During this time, you may not be able to access certain features like purchasing single articles, saving searches, modifying your e-Alert preferences, or accessing Librarian administrative functions. We appreciate your patience as we continue to improve the ACS Publications platform.

Apr 4, 2023 | dx.doi.org | Croix J. Laconsay |Dean J Tantillo

We describe the various escape channels available to dirhodium carbene intermediates from cycloheptatrienyl diazo compounds located with density functional theory. An intramolecular cyclopropanation would, in principle, provide a new route to semibullvalenes (SBVs). A detailed exploration of the potential energy surface reveals that methylating carbon-7 suppresses a competing β-hydride migration pathway to heptafulvene products, giving SBV formation a reasonable chance.