On the aromatic character of 1,2-Dihydro-1,2-azaborine according to magnetic criteria

R. Carion, V. Liégeois, B. Champagne, D. Bonifazi, S. Pelloni, P. Lazzeretti

Résultats de recherche: Contribution à un journal/une revueArticle

10 Téléchargements (Pure)

Résumé

The behavior of benzene, 1,2-dihydro-1,2-azaborine, and borazine under a magnetic perturbation is theoretically evaluated to assess how the 1,2-dihydro-1,2-azaborine molecule displays an intermediate character between its hydrocarbon (benzene) and fully boro-nitrogen (borazine) parents. The use of tridimensional visualization tools confirms that single-value magnetic properties do not allow one to properly evaluate the whole magnetic behavior and the magnetic π-aromaticity of these compounds, since the σ-electron response is also modified due to the introduction of polar B-N bond(s) and has a significant influence on the various magnetic properties.
langue originaleAnglais
Pages (de - à)1563-1568
Nombre de pages6
journalJournal of Physical Chemistry Letters
Volume1
Numéro de publication10
Les DOIs
Etat de la publicationPublié - 20 mai 2010

Empreinte digitale Examiner les sujets de recherche de « On the aromatic character of 1,2-Dihydro-1,2-azaborine according to magnetic criteria ». Ensemble, ils forment une empreinte digitale unique.

  • Projets

    Développement du Centre ISCF

    CHAMPAGNE, B., VIGNERON, J., DERYCKE, I., FRIPIAT, J., Lambin, P., SCHIEVEKAMP, I., Vercauteren, D., Wautelet, F. & WOUTERS, J.

    1/01/9531/12/12

    Projet: Recherche

    Équipement

  • Contient cette citation