par Coheur, Pierre 
;Cornil, Jérôme ;Dos Santos, Doni A.;Birkett, Paul. R.;Liévin, Jacques ;Brédas, Jean-Luc;Janot, Jean Marc;Seta, Patrick;Leach, Sydney;Walton, David R. M.;Taylor, Robert;Kroto, Harold W.;Colin, Réginald
Référence Synthetic metals, 103, 1-3, page (2407-2410)
Publication Publié, 1999
;Cornil, Jérôme ;Dos Santos, Doni A.;Birkett, Paul. R.;Liévin, Jacques ;Brédas, Jean-Luc;Janot, Jean Marc;Seta, Patrick;Leach, Sydney;Walton, David R. M.;Taylor, Robert;Kroto, Harold W.;Colin, Réginald Référence Synthetic metals, 103, 1-3, page (2407-2410)
Publication Publié, 1999
Article révisé par les pairs
| Résumé : | The geometry and electronic structure of three C60 derivatives (C60Cl6, C60Ph5Cl and C60Ph5H) are studied by means of spectroscopic measurements in cyclohexane solution and semi-empirical Hartree-Fock quantum-chemical calculations. A good agreement between observed and simulated spectra is reported. Based on the latter, the importance of symmetry and nature of the functional groups on the properties of the C60 cages is discussed. |
