Faraday Effect in Stacks of Aromatic Molecules

Orian Louant; Vincent Liégeois; Thierry Verbiest; André Persoons; Benoît Champagne

doi:10.1021/acs.jpcc.7b04177

Faraday Effect in Stacks of Aromatic Molecules

Orian Louant, Vincent Liégeois, Thierry Verbiest, André Persoons, Benoît Champagne

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

The effects of stacking aromatic units on the Verdet constant are analyzed by employing quantum chemistry calculations and are compared to the effects of oligomerization. Building stacked oligomers leads to enhanced Verdet constants, but still smaller than in the corresponding linear oligomers. Further enhancements appear when going from simple to fused-ring polyaromatic compounds.

langue originale	Anglais
Pages (de - à)	15348-15352
Nombre de pages	5
journal	Journal of Physical Chemistry C: Nanomaterials and interfaces
Volume	121
Numéro de publication	28
Les DOIs	https://doi.org/10.1021/acs.jpcc.7b04177
Etat de la publication	Publié - 5 juil. 2017

Accès au document

10.1021/acs.jpcc.7b04177

Autres fichiers et liens

Link to publication in Scopus

Elaboration de méthodes de chimie quantique pour prédire et interpreter les spectres vibrationnels de molécules à l’état excité
LOUANT, O., CHAMPAGNE, B. & Liegeois, V.
1/10/14 → 30/09/18
Projet: Projet de thèse
PAI n°P7/05 - FS2: Systèmes supramoléculaires fonctionnels (PAI P7/05)
CHAMPAGNE, B., De Vos, D., Van der Auweraer, M., Jérôme, C., Lazzaroni, R., Marin, G., Jonas, A., Du Prez, F., Vanderzande, D., Van Tendeloo, G., Van Speybroeck, V., NENON, S. & STAELENS, N.
1/04/12 → 30/09/17
Projet: Recherche
consortium des équipements de calcul intensif
CHAMPAGNE, B.
1/01/11 → 31/12/22
Projet: Recherche

Plateforme Technologique Calcul Intensif
Benoît Champagne (!!Manager)
Plateforme technologique Calcul intensif
Equipement/installations: Plateforme technolgique

Contient cette citation

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title = "Faraday Effect in Stacks of Aromatic Molecules",

abstract = "The effects of stacking aromatic units on the Verdet constant are analyzed by employing quantum chemistry calculations and are compared to the effects of oligomerization. Building stacked oligomers leads to enhanced Verdet constants, but still smaller than in the corresponding linear oligomers. Further enhancements appear when going from simple to fused-ring polyaromatic compounds.",

keywords = "Faraday effect, Aromatic molecules, Quantum chemistry",

author = "Orian Louant and Vincent Li{\'e}geois and Thierry Verbiest and Andr{\'e} Persoons and Beno{\^i}t Champagne",

year = "2017",

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doi = "10.1021/acs.jpcc.7b04177",

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AU - Louant, Orian

AU - Liégeois, Vincent

AU - Verbiest, Thierry

AU - Persoons, André

AU - Champagne, Benoît

PY - 2017/7/5

Y1 - 2017/7/5

N2 - The effects of stacking aromatic units on the Verdet constant are analyzed by employing quantum chemistry calculations and are compared to the effects of oligomerization. Building stacked oligomers leads to enhanced Verdet constants, but still smaller than in the corresponding linear oligomers. Further enhancements appear when going from simple to fused-ring polyaromatic compounds.

AB - The effects of stacking aromatic units on the Verdet constant are analyzed by employing quantum chemistry calculations and are compared to the effects of oligomerization. Building stacked oligomers leads to enhanced Verdet constants, but still smaller than in the corresponding linear oligomers. Further enhancements appear when going from simple to fused-ring polyaromatic compounds.

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M3 - Article

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JO - Journal of Physical Chemistry C: Nanomaterials and interfaces

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Faraday Effect in Stacks of Aromatic Molecules

Résumé

Accès au document

Autres fichiers et liens

Projets

Elaboration de méthodes de chimie quantique pour prédire et interpreter les spectres vibrationnels de molécules à l’état excité

PAI n°P7/05 - FS2: Systèmes supramoléculaires fonctionnels (PAI P7/05)

consortium des équipements de calcul intensif

Équipement

Plateforme Technologique Calcul Intensif

Contient cette citation