Title of article
Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H
Author/Authors
Coheur، نويسنده , , P.-F. and Cornil، نويسنده , , J. and dos Santos، نويسنده , , D.A. and Birkett، نويسنده , , P.R. and Liévin، نويسنده , , J. L. Brédas and W. R. Salaneck، نويسنده , , J.L. and Janot، نويسنده , , J.-M. and Seta، نويسنده , , John P. and Leach، نويسنده , , S. and Walton، نويسنده , , D.R.M. and Taylor، نويسنده , , R. and Kroto، نويسنده , , H.W. and Colin، نويسنده , , R.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
4
From page
2407
To page
2410
Abstract
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.
Keywords
Semi-empirical models and model calculations , Fullerenes and derivatives , Optical absorption and emission spectroscopy
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2073162
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