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On the Structure of Intermediates in Enyne Gold(I)-Catalyzed Cyclizations: Formation of trans-Fused Bicyclo[5.1.0]octanes as a Case Study

  • Datos identificativos

    Identificador: imarina:9085861
    Autores:
    Escofet, ImmaArmengol-Relats, HelenaBruss, HannaBesora, MariaEchavarren, Antonio M.
    Resumen:
    The nature of cyclopropyl gold(I) carbene-type intermediates has been reexamined as part of a mechanistic study on the formation of cis- or trans-fused bicyclo[5.1.0]octanes in a gold(I)-catalyzed cascade reaction. Benchmark of DFT methods together with QTAIM theory and NBO analysis confirms the formation of distinct intermediates with carbenic or carbocationic structures in the cycloisomerizations of enynes.
  • Otros:

    Autor según el artículo: Escofet, Imma; Armengol-Relats, Helena; Bruss, Hanna; Besora, Maria; Echavarren, Antonio M.;
    Departamento: Química Analítica i Química Orgànica Química Física i Inorgànica
    Autor/es de la URV: Besora Bonet, Maria / ECHAVARREN PABLOS, ANTONIO
    Palabras clave: Thermochemistry Skeletal rearrangement Metal Gold(i) catalysis Gold catalysis Diterpenes Dienynes Dft calculations Density Cyclopropanation Cycloisomerizations Cycloisomerization Carbocations Carbene Ab-initio
    Resumen: The nature of cyclopropyl gold(I) carbene-type intermediates has been reexamined as part of a mechanistic study on the formation of cis- or trans-fused bicyclo[5.1.0]octanes in a gold(I)-catalyzed cascade reaction. Benchmark of DFT methods together with QTAIM theory and NBO analysis confirms the formation of distinct intermediates with carbenic or carbocationic structures in the cycloisomerizations of enynes.
    Áreas temáticas: Química Organic chemistry Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Biotecnología Biodiversidade Astronomia / física
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: maria.besora@urv.cat antoniomaria.echavarren@urv.cat
    Identificador del autor: 0000-0002-6656-5827 0000-0002-6418-7930
    Fecha de alta del registro: 2023-08-05
    Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
    Enlace a la fuente original: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.202004237
    Referencia al articulo segun fuente origial: Chemistry-A European Journal. 26 (67): 15738-15745
    Referencia de l'ítem segons les normes APA: Escofet, Imma; Armengol-Relats, Helena; Bruss, Hanna; Besora, Maria; Echavarren, Antonio M.; (2020). On the Structure of Intermediates in Enyne Gold(I)-Catalyzed Cyclizations: Formation of trans-Fused Bicyclo[5.1.0]octanes as a Case Study. Chemistry-A European Journal, 26(67), 15738-15745. DOI: 10.1002/chem.202004237
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    DOI del artículo: 10.1002/chem.202004237
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2020
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Catalysis,Chemistry,Chemistry (Miscellaneous),Chemistry, Multidisciplinary,Organic Chemistry
    Thermochemistry
    Skeletal rearrangement
    Metal
    Gold(i) catalysis
    Gold catalysis
    Diterpenes
    Dienynes
    Dft calculations
    Density
    Cyclopropanation
    Cycloisomerizations
    Cycloisomerization
    Carbocations
    Carbene
    Ab-initio
    Química
    Organic chemistry
    Medicina i
    Materiais
    Interdisciplinar
    General medicine
    General chemistry
    Farmacia
    Engenharias iii
    Engenharias ii
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências agrárias i
    Chemistry, multidisciplinary
    Chemistry (miscellaneous)
    Chemistry (all)
    Chemistry
    Catalysis
    Biotecnología
    Biodiversidade
    Astronomia / física
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