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Heavy Atom Quantum Mechanical Tunneling in Total Synthesis.
Guo, Wentao; Robinson, Emily E; Thomson, Regan J; Tantillo, Dean J.
Afiliación
  • Guo W; Department of Chemistry, University of California - Davis, 1 Shields Ave, Davis, California 95616, United States.
  • Robinson EE; Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States.
  • Thomson RJ; Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States.
  • Tantillo DJ; Department of Chemistry, University of California - Davis, 1 Shields Ave, Davis, California 95616, United States.
Org Lett ; 26(22): 4606-4609, 2024 Jun 07.
Article en En | MEDLINE | ID: mdl-38809009
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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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Org Lett Asunto de la revista: BIOQUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Org Lett Asunto de la revista: BIOQUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos