Titre :

Interrogating the mechanism of the solvation dynamics in BmimBF(4)/PC mixtures: A cooperative study employing time-resolved fluorescence and molecular dynamics

Auteur(s) :

Smortsova, Yevheniia [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
Miannay, Francois-Alexandre [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Gustavsson, Thomas [Auteur]
Commissariat à l'énergie atomique et aux énergies alternatives [CEA]
Laboratoire Interactions, Dynamiques et Lasers (ex SPAM) [LIDYL]
Sauvage, Frédéric [Auteur]
Université de Picardie Jules Verne [UPJV]
Laboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
Ingrosso, Francesca [Auteur]
Laboratoire de Physique et Chimie Théoriques [LPCT]
Kalugin, Oleg [Auteur]
Department of Inorganic Chemistry
V.N. Karazin Kharkiv National University [KhNU]
Idrissi, Nacer [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Titre de la revue :

Journal of Molecular Liquids

Nom court de la revue :

J. Mol. Liq.

Numéro :

340

Pagination :

-

Date de publication :

2021-10-06

ISSN :

0167-7322

Mot(s)-clé(s) en anglais :

Ionic liquids
Solvation dynamics
Molecular dynamics
Ultrafast time-resolved spectroscopy

Discipline(s) HAL :

Chimie/Chimie théorique et/ou physique

Résumé en anglais : [en]

In this article, the solvation in ionic liquid/molecular solvent (IL/MS) mixtures is investigated. The steady-state and time-resolved measurements of the solvation of coumarin 153 (C153) in BmimBF4/propylenecarbonate are ...
Lire la suite >In this article, the solvation in ionic liquid/molecular solvent (IL/MS) mixtures is investigated. The steady-state and time-resolved measurements of the solvation of coumarin 153 (C153) in BmimBF4/propylenecarbonate are presented. A slight bathochromic shift was observed in the steady-state spectra uponincreasing the IL molar fractionxIL. The time correlated photon counting TCSPC and fluorescence upcon-version techniques were used to obtain the experimental solvation response functions (SRFs). The SRFswere found to be multi-exponential and the average solvation times increased withxIL. The MD simula-tions were performed to help the interpretation of the experimental data. An unprecedentedly goodagreement between the measured and the calculated SRFs was achieved. The partition of the coulombicenergy of interaction between the atoms of C153 and cations, anions and PC molecules provides a deepunderstanding of the time signatures of the mixture components participation in the solvation response.Indeed, the slow portion of the SRFs was found to be dominated by the IL. These time signatures change infunction ofxILand represent the previously established regimes of IL/MS mixtures: electrolyte solution(xIL<0.2) and lubricated IL (xIL>0.2). These results will be of crucial interest for the understanding ofthe molecular rearrangements occurring in IL/MS electrolyte models for dye sensitized solar cells(DSSCs) after photo-excitation.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS

Collections :

• Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Date de dépôt :

2024-02-28T23:34:55Z
2024-03-18T10:54:39Z