Nonlinear optical molecular switches for alkali ion identification

Aurélie Plaquet; BenoÎt Champagne; Frédéric Castet

doi:10.3390/molecules190710574

Nonlinear optical molecular switches for alkali ion identification

Aurélie Plaquet, BenoÎt Champagne, Frédéric Castet

Unite de recherche en chimie physique, theorique et structurale

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Résumé

This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.

langue originale	Anglais
Pages (de - à)	10574-10586
Nombre de pages	13
journal	Molecules
Volume	19
Numéro de publication	7
Les DOIs	https://doi.org/10.3390/molecules190710574
Etat de la publication	Publié - 1 janv. 2014

Accès au document

10.3390/molecules190710574

Molecules 19 10574-10586 (2014)Version finale publiée, 1,28 MB

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PAI n°P7/05 - FS2: Systèmes supramoléculaires fonctionnels (PAI P7/05)
CHAMPAGNE, B. (Co-investigateur), De Vos, D. (Responsable du Projet), Van der Auweraer, M. (Co-investigateur), Jérôme, C. (Co-investigateur), Lazzaroni, R. (Co-investigateur), Marin, G. (Co-investigateur), Jonas, A. (Co-investigateur), Du Prez, F. (Co-investigateur), Vanderzande, D. (Co-investigateur), Van Tendeloo, G. (Co-investigateur), Van Speybroeck, V. (Co-investigateur), NENON, S. (Chercheur) & STAELENS, N. (Chercheur)
1/04/12 → 30/09/17
Projet: Recherche
consortium des équipements de calcul intensif
Champagne, B. (Co-investigateur)
1/01/11 → 31/12/22
Projet: Recherche

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

Contient cette citation

@article{4bd8030da4674f50983f9b2fc3b9877a,

title = "Nonlinear optical molecular switches for alkali ion identification",

abstract = "This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.",

keywords = "Alkali ion sensing, Hyper-rayleigh scattering, Merocyanine/spiropyran, Molecular switches, Nonlinear optics, Quantum chemical calculations",

author = "Aur{\'e}lie Plaquet and Beno{\^I}t Champagne and Fr{\'e}d{\'e}ric Castet",

year = "2014",

month = jan,

day = "1",

doi = "10.3390/molecules190710574",

language = "English",

volume = "19",

pages = "10574--10586",

journal = "Molecules",

issn = "1420-3049",

publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

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TY - JOUR

T1 - Nonlinear optical molecular switches for alkali ion identification

AU - Plaquet, Aurélie

AU - Champagne, BenoÎt

AU - Castet, Frédéric

PY - 2014/1/1

Y1 - 2014/1/1

N2 - This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.

AB - This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.

KW - Alkali ion sensing

KW - Hyper-rayleigh scattering

KW - Merocyanine/spiropyran

KW - Molecular switches

KW - Nonlinear optics

KW - Quantum chemical calculations

UR - http://www.scopus.com/inward/record.url?scp=84904796886&partnerID=8YFLogxK

U2 - 10.3390/molecules190710574

DO - 10.3390/molecules190710574

M3 - Article

AN - SCOPUS:84904796886

SN - 1420-3049

VL - 19

SP - 10574

EP - 10586

JO - Molecules

JF - Molecules

IS - 7

ER -

Nonlinear optical molecular switches for alkali ion identification

Résumé

Accès au document

Autres fichiers et liens

Empreinte digitale

Projets

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

consortium des équipements de calcul intensif

Équipement

Plateforme Technologique Calcul Intensif

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