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Reductive elimination from palladium(II) via a [π2s + π2s + σ2s + σ2s] pericyclic reaction

Cusumano, Alexander and Goddard, William Andrew and Stoltz, Brian Mark (2021) Reductive elimination from palladium(II) via a [π2s + π2s + σ2s + σ2s] pericyclic reaction. In: 262nd ACS National Meeting & Exposition, 22-26 August 2021, Atlanta, GA.

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The fundamental step responsible for enantioinduction in the inner-sphere asym. Tsuji allylic alkylation is C-C bond formation through a unique seven-membered pericyclic transition state. We investigate how the electronic structure of the transition metal center enables the C-C bond forming process. Phase inversion introduced by d orbitals renders the Pd-catalyzed [π2s + π2s + σ2s + σ2s] reaction symmetry-allowed in the ground state - proceeding through a transition state with Craig-Möbius-like aromaticity. We connect these findings to ubiquitous bonding concepts, such as Frontier MO theory and valence bonding theory.

Item Type:Conference or Workshop Item (Paper)
Related URLs:
URLURL TypeDescription Website
Cusumano, Alexander0000-0002-2914-2008
Goddard, William Andrew0000-0003-0097-5716
Stoltz, Brian Mark0000-0001-9837-1528
Additional Information:© 2021 American Chemical Society.
Record Number:CaltechAUTHORS:20211214-174138725
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:112401
Deposited By: Tony Diaz
Deposited On:14 Dec 2021 17:54
Last Modified:14 Dec 2021 17:54

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