Un aperçu théorique des propriétés optiques à l'état solide des matériaux luminescents: Approche supermoléculaire

J. Cornil; D. Beljonne; D. A. Dos Santos; J. P. Calbert; Z. Shuai; Jean-Luc Bredas

doi:10.1016/S1296-2147(00)00139-6

Un aperçu théorique des propriétés optiques à l'état solide des matériaux luminescents: Approche supermoléculaire

Translated title of the contribution: A theoretical insight into the solid-state optical properties of luminescent materials: The supermolecular approach

J. Cornil^*, D. Beljonne, D. A. Dos Santos, J. P. Calbert, Z. Shuai, Jean-Luc Bredas

^*Corresponding author for this work

Physical Sciences and Engineering

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

The way interchain interactions affect the absorption and luminescence properties of organic conjugated materials is addressed by means of correlated quantum-chemical calculations on molecular aggregates. Special emphasis is given to the influence of chain length and relative positions of the interacting units. The consideration of α-oligothiophenes in their crystalline structure allows us to shed light into the chain-length evolution of the optical splitting of the lowest optically-allowed excited state and to validate the theoretical approach by confronting the theoretical predictions to experimental results. Various strategies are proposed to prevent luminescence quenching when going from solutions to films or crystals.

Translated title of the contribution	A theoretical insight into the solid-state optical properties of luminescent materials: The supermolecular approach
Original language	French
Pages (from-to)	403-408
Number of pages	6
Journal	Comptes Rendus de l'Academie des Sciences - Series IV: Physics, Astrophysics
Volume	1
Issue number	4
DOIs	https://doi.org/10.1016/S1296-2147(00)00139-6
State	Published - Jan 1 2000

Keywords

AM1 method
Aggregate
Davydov splitting
INDO-SCI
Oligothiophene

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1016/S1296-2147(00)00139-6

Cite this

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title = "Un aper{\c c}u th{\'e}orique des propri{\'e}t{\'e}s optiques {\`a} l'{\'e}tat solide des mat{\'e}riaux luminescents: Approche supermol{\'e}culaire",

abstract = "The way interchain interactions affect the absorption and luminescence properties of organic conjugated materials is addressed by means of correlated quantum-chemical calculations on molecular aggregates. Special emphasis is given to the influence of chain length and relative positions of the interacting units. The consideration of α-oligothiophenes in their crystalline structure allows us to shed light into the chain-length evolution of the optical splitting of the lowest optically-allowed excited state and to validate the theoretical approach by confronting the theoretical predictions to experimental results. Various strategies are proposed to prevent luminescence quenching when going from solutions to films or crystals.",

keywords = "AM1 method, Aggregate, Davydov splitting, INDO-SCI, Oligothiophene",

author = "J. Cornil and D. Beljonne and {Dos Santos}, {D. A.} and Calbert, {J. P.} and Z. Shuai and Jean-Luc Bredas",

year = "2000",

month = jan,

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doi = "10.1016/S1296-2147(00)00139-6",

language = "French",

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pages = "403--408",

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T1 - Un aperçu théorique des propriétés optiques à l'état solide des matériaux luminescents

T2 - Approche supermoléculaire

AU - Cornil, J.

AU - Beljonne, D.

AU - Dos Santos, D. A.

AU - Calbert, J. P.

AU - Shuai, Z.

AU - Bredas, Jean-Luc

PY - 2000/1/1

Y1 - 2000/1/1

N2 - The way interchain interactions affect the absorption and luminescence properties of organic conjugated materials is addressed by means of correlated quantum-chemical calculations on molecular aggregates. Special emphasis is given to the influence of chain length and relative positions of the interacting units. The consideration of α-oligothiophenes in their crystalline structure allows us to shed light into the chain-length evolution of the optical splitting of the lowest optically-allowed excited state and to validate the theoretical approach by confronting the theoretical predictions to experimental results. Various strategies are proposed to prevent luminescence quenching when going from solutions to films or crystals.

AB - The way interchain interactions affect the absorption and luminescence properties of organic conjugated materials is addressed by means of correlated quantum-chemical calculations on molecular aggregates. Special emphasis is given to the influence of chain length and relative positions of the interacting units. The consideration of α-oligothiophenes in their crystalline structure allows us to shed light into the chain-length evolution of the optical splitting of the lowest optically-allowed excited state and to validate the theoretical approach by confronting the theoretical predictions to experimental results. Various strategies are proposed to prevent luminescence quenching when going from solutions to films or crystals.

KW - AM1 method

KW - Aggregate

KW - Davydov splitting

KW - INDO-SCI

KW - Oligothiophene

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U2 - 10.1016/S1296-2147(00)00139-6

DO - 10.1016/S1296-2147(00)00139-6

M3 - Article

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SN - 1296-2147

VL - 1

SP - 403

EP - 408

JO - Comptes Rendus de l'Academie des Sciences - Series IV: Physics, Astrophysics

JF - Comptes Rendus de l'Academie des Sciences - Series IV: Physics, Astrophysics

IS - 4

ER -

Un aperçu théorique des propriétés optiques à l'état solide des matériaux luminescents: Approche supermoléculaire

Abstract

Keywords

ASJC Scopus subject areas

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