Ambimodal Bispericyclic [6 + 4]/[4 + 6] Transition State Competes with Diradical Pathways in the Cycloheptatriene Dimerization: Dynamics and Experimental Characterization of Thermal Dimers

Autor: Qingyang Zhou, Mathias K. Thøgersen, Nomaan M. Rezayee, Karl Anker Jørgensen, K. N. Houk

Publikováno v: Zhou, Q, Thøgersen, M K, Rezayee, N M, Jørgensen, K A & Houk, K N 2022, ' Ambimodal Bispericyclic [6 + 4]/[4 + 6] Transition State Competes with Diradical Pathways in the Cycloheptatriene Dimerization : Dynamics and Experimental Characterization of Thermal Dimers ', Journal of the American Chemical Society, vol. 144, no. 48, pp. 22251-22261 . https://doi.org/10.1021/jacs.2c10407

The thermal dimerization of cycloheptatriene is predicted to occur by a concerted [6 + 4] cycloaddition via an ambimodal [6 + 4]/[4 + 6] transition state (TS) and a competing stepwise diradical (6 + 2) cycloaddition; both dimers subsequently undergo

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https://doi.org/10.1021/jacs.2c10407