Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H

Authors
Coheur, PF Cornil, J dos Santos, DA Birkett, PR Lievin, J Bredas, JL Janot, JM Seta, P Leach, S Walton, DRM Taylor, R Kroto, HW Colin, R
Citation
Pf. Coheur et al., Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H, SYNTH METAL, 103(1-3), 1999, pp. 2407-2410
Citations number
35
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
103
Issue
1-3
Year of publication
1999
Pages
2407 - 2410
Database
ISI
SICI code
0379-6779(199906)103:1-3<2407:PPOCCA>2.0.ZU;2-9
Abstract
The geometry and electronic structure of three C-60 derivatives (C60Cl6, C6 0Ph5Cl and C60Ph5H) are studied by means of spectroscopic measurements in c yclohexane solution and semi-empirical Hartree-Fock quantum-chemical calcul ations. A good agreement between observed and simulated spectra is reported . Based on the latter, the importance of symmetry and nature of the functio nal groups on the properties of the C-60 cages is discussed.