Articles producció científicaQuímica Física i Inorgànica

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

  • Identification data

    Identifier:  imarina:9085861
    Handle: https://hdl.handle.net/20.500.11797/imarina9085861
    Authors:  Escofet, I; Armengol-Relats, H; Bruss, H; Besora, M; Echavarren, AM
    Abstract:
    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.

  • Others:

    Link to the original source: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.202004237
    APA: Escofet, I; Armengol-Relats, H; Bruss, H; Besora, M; Echavarren, AM (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
    Paper original source: Chemistry-A European Journal. 26 (67): 15738-15745
    Article's DOI: 10.1002/chem.202004237
    Journal publication year: 2020-12-01
    Entity: Universitat Rovira i Virgili
    Paper version: info:eu-repo/semantics/publishedVersion
    Record's date: 2026-05-09
    URV's Author/s: Besora Bonet, Maria / ECHAVARREN PABLOS, ANTONIO
    Department: Química Analítica i Química Orgànica, Química Física i Inorgànica
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Publication Type: Journal Publications
    Author, as appears in the article.: Escofet, I; Armengol-Relats, H; Bruss, H; Besora, M; Echavarren, AM
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Thematic Areas: Organic chemistry, General medicine, General chemistry, Chemistry, multidisciplinary, Chemistry (miscellaneous), Chemistry (all), Chemistry, Catalysis, Biotecnología, Biodiversidade
    Author's mail: antoniomaria.echavarren@urv.cat, antoniomaria.echavarren@urv.cat, maria.besora@urv.cat, maria.besora@urv.cat

  • Keywords:

    Thermochemistry
    Skeletal rearrangement
    Metal
    Gold(i) catalysis
    Gold catalysis
    Diterpenes
    Dienynes
    Dft calculations
    Density
    Cyclopropanation
    Cycloisomerizations
    Cycloisomerization
    Clean water and sanitation
    Carbocations
    Carbene
    Ab-initio
    Catalysis
    Chemistry
    Chemistry (Miscellaneous)
    Multidisciplinary
    Organic Chemistry
    General medicine
    General chemistry
    Chemistry (all)
    Biotecnología
    Biodiversidade

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