Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H

P. F. Coheur; J. Cornil; D. A. Dos Santos; P. R. Birkett; J. Liévin; J. L. Brédas; J. M. Janot; P. Seta; S. Leach; D. R.M. Walton; R. Taylor; H. W. Kroto; R. Colin

doi:10.1016/S0379-6779(98)00250-1

Photophysical properties of C₆₀Cl₆, C₆₀Ph₅Cl and C₆₀Ph₅H

P. F. Coheur, J. Cornil, D. A. Dos Santos, P. R. Birkett, J. Liévin, J. L. Brédas, J. M. Janot, P. Seta, S. Leach, D. R.M. Walton, R. Taylor, H. W. Kroto, R. Colin

Research output: Contribution to journal › Conference article › peer-review

10 Scopus citations

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.

Original language	English (US)
Pages (from-to)	2407-2410
Number of pages	4
Journal	Synthetic Metals
Volume	103
Issue number	1-3
DOIs	https://doi.org/10.1016/S0379-6779(98)00250-1
State	Published - Jun 24 1999
Externally published	Yes
Event	Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier Duration: Jul 12 1998 → Jul 18 1998

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/S0379-6779(98)00250-1

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title = "Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H",

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.",

author = "Coheur, {P. F.} and J. Cornil and {Dos Santos}, {D. A.} and Birkett, {P. R.} and J. Li{\'e}vin and Br{\'e}das, {J. L.} and Janot, {J. M.} and P. Seta and S. Leach and Walton, {D. R.M.} and R. Taylor and Kroto, {H. W.} and R. Colin",

note = "Funding Information: Thanks are due to the Fonds National de la Recherche Scientifique (FNRS, Belgium) and the EU HCM Network “Formation, Stability and Photophysics of Fullerenes” (contract ERBCHRXCT-940614) for financial support. The work in Mons is partly supported by the Belgian Federal Government “Phle d{\textquoteright}Attraction Interuniversitaire en Chimie SupramolCculaire et Catalyse Supramol&ulaire (PAI 4/l l>“, FNRS/lXFC, and an IBM-Belgium Academic Joint Study.; Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) ; Conference date: 12-07-1998 Through 18-07-1998",

year = "1999",

month = jun,

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doi = "10.1016/S0379-6779(98)00250-1",

language = "English (US)",

volume = "103",

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journal = "Synthetic Metals",

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TY - JOUR

T1 - Photophysical properties of C60Cl6, C60Ph5Cl and C60Ph5H

AU - Coheur, P. F.

AU - Cornil, J.

AU - Dos Santos, D. A.

AU - Birkett, P. R.

AU - Liévin, J.

AU - Brédas, J. L.

AU - Janot, J. M.

AU - Seta, P.

AU - Leach, S.

AU - Walton, D. R.M.

AU - Taylor, R.

AU - Kroto, H. W.

AU - Colin, R.

N1 - Funding Information: Thanks are due to the Fonds National de la Recherche Scientifique (FNRS, Belgium) and the EU HCM Network “Formation, Stability and Photophysics of Fullerenes” (contract ERBCHRXCT-940614) for financial support. The work in Mons is partly supported by the Belgian Federal Government “Phle d’Attraction Interuniversitaire en Chimie SupramolCculaire et Catalyse Supramol&ulaire (PAI 4/l l>“, FNRS/lXFC, and an IBM-Belgium Academic Joint Study.

PY - 1999/6/24

Y1 - 1999/6/24

N2 - 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.

AB - 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.

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U2 - 10.1016/S0379-6779(98)00250-1

DO - 10.1016/S0379-6779(98)00250-1

M3 - Conference article

AN - SCOPUS:0033138066

SN - 0379-6779

VL - 103

SP - 2407

EP - 2410

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

T2 - Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98)

Y2 - 12 July 1998 through 18 July 1998

ER -

Photophysical properties of C₆₀Cl₆, C₆₀Ph₅Cl and C₆₀Ph₅H

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