A5015237693- Ionic liquids properties and applications
- Conducting polymers and applications
- Electrochemical Analysis and Applications
- Photochemistry and Electron Transfer Studies
- Polyoxometalates: Synthesis and Applications
- Advanced battery technologies research
- Organic Electronics and Photovoltaics
- Porphyrin and Phthalocyanine Chemistry
- Electrodeposition and Electroless Coatings
- Advanced Battery Technologies Research
- Organometallic Compounds Synthesis and Characterization
- Chemical and Physical Properties in Aqueous Solutions
- Crystallography and molecular interactions
- Carbon dioxide utilization in catalysis
- Solid-state spectroscopy and crystallography
- Extraction and Separation Processes
- Transition Metal Oxide Nanomaterials
- Metal complexes synthesis and properties
- Crystal structures of chemical compounds
- Nonlinear Optical Materials Research
- Molecular Junctions and Nanostructures
- Free Radicals and Antioxidants
- Surfactants and Colloidal Systems
- CO2 Reduction Techniques and Catalysts
- Advanced Battery Materials and Technologies
Université de Bordeaux
2010-2024
Institut des Sciences Moléculaires
2010-2024
Centre National de la Recherche Scientifique
2010-2024
Canadian Nautical Research Society
2016
The optical constants of some imidazolium-based ionic liquids (ILs) are determined in the mid- and far-infrared regions by combining polarized attenuated total reflection (ATR) transmittance spectra. internal vibrations cations anions interionic can thus be quantitatively evaluated. A comparison far-IR spectral response several imidazolium derivatives associated with (CF(3)SO(2))(2)N(-) anion shows that methylation more acidic C((2))H group does not change intensity hence CH...anion hydrogen...
A series of ionic liquids involving imidazolium, pyrrolidinium, and alkyl ammonium cations with different anions (namely, [BF(4)], [PF(6)], [TFSI], [SCN], [(CN)(2)N]) have been studied by hyper-Rayleigh scattering (HRS), which is a powerful technique to probe the local structure in multipolar description. The interpretation HRS measurements terms an elementary structural (ES) entity has revealed dominating octopolar nature ES scatterers. By combining analysis density functional theory...
In this paper we investigate the solvation of silver bis(trifluoromethylsulfonyl)imide salt (AgTFSI) in 1‐ethyl‐3‐methylimidazolium TFSI [EMI][TFSI] ionic liquid by combining Raman and infrared (IR) spectroscopies with density functional theory (DFT) calculations. The IR spectra were measured 200–4000 cm −1 spectral region for AgTFSI/[EMI][TFSI] solutions different concentrations ([AgTFSI] <0.2 mole fraction). analysis shows that features observed dissolution AgTFSI solution originate...
In the search for low-polluting electrode materials batteries, use of redox-active organic compounds represents a promising alternative to conventional metal-based systems. this article we report combined experimental and theoretical study tetramethoxy-p-benzoquinone (TMQ). carbonate-based electrolytes, electrochemical behaviour compound is characterized by reversible insertion process located at approximately 2.85 V vs. Li+/Li0. This relatively high potential reactivity, coupled with our...
NMR spectroscopy ((1)H, (13)C, (15)N) shows that carbon disulfide reacts spontaneously with 1-butyl-1-methylpyrrolidinium acetate ([BmPyrro][Ac]) in the liquid phase. It is found anions play an important role conditioning chemical reactions CS2 leading, via coupled complex reactions, to degradation of this molecule form thioacetate anion (CH3COS(-)), CO2, OCS, and trithiocarbonate (CS3 (2-)). In marked contrast, cation does not lead formation any adducts allowing conclude that, at most, its...
Herein we would like to highlight the impact of material microstructure on electrochemical performances dilithium benzoquinone dioximate (Li2-BQDO) and its oxidized self-polymerized version (PNND), a promising electroactive for energy storage application. Li2-BQDO showed reversible exchange two lithium ions at high redox potential (3.0 V vs Li+/Li), acting as lithiated organic positive electrode lithium-ions batteries. After preliminary computational study, performance form , which...
Extracting─from the vast space of organic compounds─the best electrode candidates for achieving energy material breakthrough requires identification microscopic causes and origins various macroscopic features, including notably electrochemical conduction properties. As a first guess their capabilities, molecular DFT calculations quantum theory atoms in molecules (QTAIM)-derived indicators were applied to explore family pyrano[3,2-b]pyran-2,6-dione (PPD, i.e., A0) compounds, expanded A0 fused...
Material design enters an era in which control of electrons atoms, molecules, and materials is essential property to be predicted thoroughly understood view discovering new compounds with properties optimized toward specific optical/optoelectronic applications. π-electronic delocalization charge separation/recombination enter notably into the set features that are highly desirable tailor. Diverse domains particularly relying on photoinduced electron-transfer (PET), including fields paramount...
A simple and atom-economic method for preparation of a novel hydrophobic ionic liquid based on the per-fluoro-<italic>tert</italic>-butoxide anion.
Molecular modelling combined with electronic structure scrutinization may provide required insights for addressing challenges respect to the identification of redox-active targets usable as sustainable electrodes.
We present DFT investigations on the redox properties of quinone based precursors exhibiting growing interest from electrochemists community due to their potential application as electrodes for new battery devices, with lower ecological footprint. A screening various substituents is undertaken aim providing guidelines experimentalists towards most promising candidates. comparison effect aromaticity extension provided through 1,4-benzo-/naphtho-/anthra-quinone and 9,10-anthraquinone...
Understanding structure-property relationship in redox-active molecular species is of central importance various fields, including many medicinal and chemical applications. The quest for performant organic electrodes the context energy storage calls pioneering studies to develop new possibly optimal materials. Beyond modifying design existing compounds through functionalization, expansion search enabling advent efficient backbones can potentially lead breakthroughs this research area. number...
Bis(1-butyl-1-methypyrrolidinium) perthiodicarbonate was obtained by the reaction of carbon disulfide with 1-butyl-1-methypyrrolidinium acetate ([BmPyrro][Ac]) in liquid phase. Structural characterization this original complex achieved single-crystal X-ray diffraction (SCXRD) analysis. The asymmetric unit title compound, C2S6·2C9H20N, consisted two crystallographically 1-methyl-1-butyl pyrrolidinium cations and one anion. C2S6·2C9H20N crystallized monoclinic space group, C 2/c, possessed...
A model for decomposing the Le Bahers, Adamo, and Ciofini Charge Transfer (CT) Excitations global indexes (