Title :

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

Author(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

Journal title :

Journal of Molecular Liquids

Abbreviated title :

J. Mol. Liq.

Volume number :

340

Pages :

-

Publication date :

2021-10-06

ISSN :

0167-7322

English keyword(s) :

Ionic liquids
Solvation dynamics
Molecular dynamics
Ultrafast time-resolved spectroscopy

HAL domain(s) :

Chimie/Chimie théorique et/ou physique

English abstract : [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 ...
Show more >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.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS

Collections :

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

Submission date :

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