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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