par Coheur, Pierre ;Cornil, Jérôme ;Dos Santos, Doni A.;Birkett, Paul. R.;Liévin, Jacques ;Brédas, Jean-Luc;Walton, David R. M.;Taylor, Robert;Kroto, Harold W.;Colin, Réginald
Référence The Journal of Chemical Physics, 112, 19, page (8555-8566)
Publication Publié, 2000
Référence The Journal of Chemical Physics, 112, 19, page (8555-8566)
Publication Publié, 2000
Article révisé par les pairs
Résumé : | The photophysical properties of hexa-functionalized C60 derivatives (C60Cl6, C60Ph5Cl, C60Ph5H, and two C60Ph5OH isomers) have been investigated by means of UV-visible absorption and fluorescence spectroscopy in cyclohexane solution and quantum-chemical calculations derived from semiempirical Hartree-Fock approaches. A very good agreement is obtained between the measured absorption and fluorescence spectra and the calculated excitation energies, thus allowing for a detailed assignment of the optical features. The effects of symmetry and chemical nature of the functional groups on the ground-state and spectroscopic properties of the C60 derivatives are discussed. © 2000 American Institute of Physics. |