Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H

被引：9
|
作者：
Coheur, PF
Cornil, J
dos Santos, DA
Birkett, PR
Liévin, J
Brédas, JL
Janot, JM
Seta, P
Leach, S
Walton, DRM
Taylor, R
Kroto, HW
Colin, R
机构：
[1] Free Univ Brussels, Lab Chim Phys Mol, B-1050 Brussels, Belgium
[2] Univ Mons, Serv Chim Mat Nouveaux, Ctr Rech Elect & Photon Mol, B-7000 Mons, Belgium
[3] Univ Sussex, Fullerene Sci Ctr, CPES Sch, Brighton BN1 9QJ, E Sussex, England
[4] CNRS, UMR, Lab Mat & Procedes Membranaires, Montpellier, France
[5] Observ Meudon, DAMAP, F-92195 Meudon, France
来源：
SYNTHETIC METALS | 1999年 / 103卷 / 1-3期
关键词：
fullerenes and derivatives; semi-empirical models and model calculations; optical absorption and emission spectroscopy;
D O I：
10.1016/S0379-6779(98)00250-1
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The geometry and electronic structure of three C-60 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 C-60 cages is discussed.
引用
收藏
页码：2407 / 2410
页数：4
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