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

Unit of theoretical and structural physico-chemistry

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

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.

Original language	English
Pages (from-to)	15348-15352
Number of pages	5
Journal	Journal of Physical Chemistry C: Nanomaterials and interfaces
Volume	121
Issue number	28
DOIs	https://doi.org/10.1021/acs.jpcc.7b04177
Publication status	Published - 5 Jul 2017

Keywords

Faraday effect
Aromatic molecules
Quantum chemistry

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10.1021/acs.jpcc.7b04177

Cite this

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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 - 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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KW - Aromatic molecules

KW - Quantum chemistry

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M3 - Article

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JO - Journal of Physical Chemistry C: Nanomaterials and interfaces

JF - Journal of Physical Chemistry C: Nanomaterials and interfaces

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Faraday Effect in Stacks of Aromatic Molecules

Abstract

Keywords

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

PAI n°P7/05 - FS2: Functional Supramolecular Systems (FS2)

consortium des équipements de calcul intensif

High Performance Computing Technology Platform

Cite this

Faraday Effect in Stacks of Aromatic Molecules

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Projects

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

PAI n°P7/05 - FS2: Functional Supramolecular Systems (FS2)

consortium des équipements de calcul intensif

Equipment

High Performance Computing Technology Platform

Cite this