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Updated: Jun 25, 2025

Atomically Traceable Nanostructure Fabrication
Published on: July 17, 2015
Heavy Atom Quantum Mechanical Tunneling in Total Synthesis
Wentao Guo1, Emily E Robinson2, Regan J Thomson2
1Department of Chemistry, University of California - Davis, 1 Shields Ave, Davis, California 95616, United States.
Abstract:
Contributions from quantum mechanical tunneling to the rates of several radical coupling reactions between carbon sp2 centers used as key steps in natural product total syntheses were computed using density functional theory. Contributions ranging from ∼15-52% from tunneling were predicted at room temperature, thereby indicating that tunneling plays an important role in the rates of these reactions and should perhaps be considered when designing complex synthetic schemes.
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