A mechanism study and an investigation of the reason for the stereoselectivity in the [4+2] cycloaddition reaction between cyclopentadiene and gem-substituted ethylene electrophiles

• Autorzy: Aitouna Abdelhak Ouled , Barhoumi Ali , Zeroual Abdellah

Identyfikatory

DOI

10.58332/scirad2023v2i3a01

• Języki publikacji: EN

Abstrakty

EN

The Molecular Electron Density Theory is applied to the [4+2] cycloaddition reaction between cyclopentadiene and gem-substituted ethylene electrophiles. Calculations are made for reactions, activation energies, and reactivity indices. The results of the experiment are perfectly consistent with activation energies, which unequivocally show that this cyclization’s are is highly stereoselective, in addition, based on ELF examination, the mechanism of these [4+2] cycloadditions occurs in two phases, The mechanisms of these reactions demonstrate that the term "pericyclic reaction" is no more relevant in the 21st century and has been replaced by the term "pseudocyclic".

Słowa kluczowe

EN

pericyclic reactions; pseudocyclic; MEDT; molecular electron density theory; cyclopentadiene; gem-substituted ethylene electrophiles

PL

reakcja pericykliczna; pseudocykl; teoria molekularnej gęstości elektronowej; cyklopentadien

• Wydawca: Radomskie Towarzystwo Naukowe
• Czasopismo: Scientiae Radices
• Rocznik: 2023
• Tom: Vol. 2, Iss. 3
• Strony: 217--228
• Opis fizyczny: Bibliogr. 32 poz., il. kolor., rys.

Twórcy

autor

Aitouna Abdelhak Ouled

• Laboratory of Biomolecular Chemistry, Natural Substances and Reactivity, URAC 16, Faculty of Sciences Semlalia, Cadi Ayyad University, P.O. Box 2390, Marrakech, Morocco

autor

Barhoumi Ali

• Molecular Modelling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000 El Jadida, Morocco

autor

Zeroual Abdellah

• Molecular Modelling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000 El Jadida, Morocco

Bibliografia

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Uwagi

Opracowanie rekordu ze środków MNiSW, umowa nr SONP/SP/546092/2022 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2024).