Skip to main content
SpringerLink
Log in

Theoretical study of the reactivity of hydrocarbon and oxygenated alkoxy radicals: comparison of the isomerization and the b-c-h bond dissociation pathways

  • Published:
Reaction Kinetics and Catalysis Letters Aims and scope Submit manuscript

Summary

We show the presence of an ether group in alkoxy radicals significantly lowers the activation energy of the b-C-H dissociation and only slightly increases the isomerization barrier. Moreover, an 1-6 isomerization mechanism involving a 7-membered transition state may compete with the usual 1-5 isomerization.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

Author information

Authors and Affiliations

  1. Equipe de Chimie et Biochimie Théoriques, UMR CNRS-UHP 7565, Faculté des Sciences et Techniques, Boulevard des Aiguillettes, BP 239, 54506 Vandoeuvre-lès-Nancy, France

    Eddy Thiriot

  2. UMR CNRS 6089, Equipe de Chimie Théorique, UFR Sciences Exactes et Naturelles, Université de Reims, Champagne-Ardenne, Moulin de la Housse BP 1039, 51687 Reims Cedex 2, France

    Sébastien Canneaux

  3. UMR CNRS 6089, Equipe de Chimie Théorique, UFR Sciences Exactes et Naturelles, Université de Reims, Champagne-Ardenne, Moulin de la Housse BP 1039, 51687 Reims Cedex 2, France

    Eric Hénon

  4. UMR CNRS 6089, Equipe de Chimie Théorique, UFR Sciences Exactes et Naturelles, Université de Reims, Champagne-Ardenne, Moulin de la Housse BP 1039, 51687 Reims Cedex 2, France

    Frédéric Bohr

Authors
  1. Eddy Thiriot
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Sébastien Canneaux
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Eric Hénon
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Frédéric Bohr
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Thiriot, E., Canneaux, S., Hénon, E. et al. Theoretical study of the reactivity of hydrocarbon and oxygenated alkoxy radicals: comparison of the isomerization and the b-c-h bond dissociation pathways. React Kinet Catal Lett 85, 123–129 (2005). https://doi.org/10.1007/s11144-005-0251-0

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11144-005-0251-0

Search

Navigation