Search results for "Ionic"
showing 10 items of 2016 documents
Sequestration of organomettalic compounds by synthetic and naturally occuring polycarboxylate ligands. Binding of monomethylmercury(II) by polyacryli…
2007
The sequestering capacity of synthetic and naturally occurring polycarboxylate ligands towards mono- methylmercury(II) was evaluated by stability quantitative data on the interaction of CH3Hgþ with different molecular weight synthetic polyacrylates (2 and 20 kDa average M.wt) and alginate (70– 100 kDa) extracted from brown algae Macrocystis pyrifera. The influence of ionic medium was evaluated by measurements on the CH3Hgþ-polyacrylate systems in NaNO3 medium at different ionic strengths (0.10, 0.25, 0.50 and 0.75mol Lÿ1), and a Debye–Hu¨ ckel type equation was used for the dependence of complex formation constants on ionic strength. Measurements on the CH3Hgþ - alginate system were carried…
Salt-induced microheterogeneities in binary liquid mixtures
2017
The salt-induced microheterogeneity (MH) formation in binary liquid mixtures is studied by small-angle x-ray scattering (SAXS) and liquid state theory. Previous experiments have shown that this phenomenon occurs for antagonistic salts, whose cations and anions prefer different components of the solvent mixture. However, so far the precise mechanism leading to the characteristic length scale of MHs has remained unclear. Here, it is shown that MHs can be generated by the competition of short-ranged interactions and long-ranged monopole-dipole interactions. The experimental SAXS patterns can be reproduced quantitatively by fitting to the derived correlation functions without assuming any speci…
Ionic liquids in bio-refining : synthesis and applications
2013
Fossil fuel resources are not limitless so alternative renewable recourses are needed to fill the void that inevitably will be created once the supplies of this resource start do dwindle. Biomass has the potential to fill this void. Today only a small part of the world annual production of biomass is utilized by humankind, while the rest is allowed to decay naturally. To utilize this renewable resource in the production of fuel and chemicals, the so called bio-refineries specialized in fractionation and making use of all component of the biomass are needed. Ionic liquids could aid in this task. Ionic liquids (ILs) have shown great potential in the field of biomass processing in general and …
Ionic liquids: “normal” solvents or nanostructured fluids?
2021
Ionic liquids (ILs) are a class of non-conventional solvents, which, for almost two decades, have continued to generate burgeoning interest in different fields of present-day chemical research with few similar precedents. Among the various aspects related to ILs, a topic worthy of in-depth analysis is their influence on organic reactivity and reaction rates. In light of this, the present short review aims to provide an overview of the literature from 2010 to the present day that addresses this issue. In particular, we herein present two main different viewpoints by which the solvent effect of ILs is explained: the first is mainly based on considering the bulk polarity of ILs and linear solv…
Giant Mechanocaloric Effects in Fluorite-Structured Superionic Materials
2016
Mechanocaloric materials experience a change in temperature when a mechanical stress is applied on them adiabatically. Thus, far, only ferroelectrics and superelastic metallic alloys have been considered as potential mechanocaloric compounds to be exploited in solid-state cooling applications. Here we show that giant mechanocaloric effects occur in hitherto overlooked fast ion conductors (FIC), a class of multicomponent materials in which above a critical temperature, Ts, a constituent ionic species undergoes a sudden increase in mobility. Using first-principles and molecular dynamics simulations, we found that the superionic transition in fluorite-structured FIC, which is characterized by …
Studies of structures and properties of polymeric systems containing bis-(hydroxy-arylidene)alkanones as NLO-active chromophores
2002
Abstract NLO-properties of polymer systems containing bis-(hydroxy-arylidene)alkanone chromophores were studied experimentally and analyzed using ab initio quantum chemical calculations. A monoclinic crystal structure (space group P2111) of the polyester containing fragments of such chromophores in the backbone was simulated and a reasonable agreement between the experimental and simulated X-ray powder diffraction patterns was achieved. Ab initio quantum-mechanical estimations of the SHG-observable macroscopic second-order non-linearity tensor coefficients, obtained for the polymer crystal structure at the HF SCF level, led to the major dXZZ-coefficient of 1.9 pm/V. Films of ionic complexes…
Electrical impedance spectroscopy of ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate (ECOENG™ 110)
2011
Abstract Ionic liquid “ECOENG™ 110”, a promising electrolyte for electrochemical devices, was investigated by impedance spectroscopy. Metallic electrodes (Pt, Cu, Ag, and Mo) as well as carbon were used for the electrochemical characterization. The dependences of the real and imaginary impedance, polarization resistance and electrochemical capacity of the double layer on the electrode potential were investigated using electrical equivalent circuits of R1(QR2) and R1[Q(R2W)] types.
Anomalous Kinetics of Diffusion-Controlled Defect Annealing in Irradiated Ionic Solids
2017
The authors thanks A. Ch. Lushchik, M. Izerrouken, and V. Lisitsyn for stimulating discussions. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euroatom research and training programme 2014-2018 under Grant Agreement No. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. R.V. acknowledges the financial support by the MEIC (Ministerio de Economa, Industria y Competitivad; Project ENE2015-70300-C3-1-R). The calculations were performed using facilities of the Stuttgart Supercomputer Center (Project DEFTD 12939).
ChemInform Abstract: Weak Interactions Between Trivalent Pnictogen Centers: Computational Analysis of Bonding in Dimers X3E···EX3(E: Pnictogen, X: Ha…
2009
The nature of weak interactions in dimers X3E···EX3 (E = N−Bi, X = F−I) was investigated by wave function and density functional theory (DFT)-based methods. Out of the 20 systems studied, 10 are found to be bound at the CP-MP2 and LMP2 levels of theory. Detailed partition of the interaction energy into different components revealed that dispersion is the primary force holding the dimers together but there also exists an important ionic component whose contribution increases with increasing halogen size. As expected, standard density functionals fail to describe bonding in the studied systems. However, the performance of DFT methods can be easily improved via empirical dispersion correction …
Transition metal derivatives of low oxidation state phosphorus oxoacids: synthetic pathways and structural studies
1993
Abstract A general synthetic approach intended to rationalize the solution preparative chemistry of transition metal phosphites and hypophosphites is presented. As previously shown for other derivatives containing also tetrahedral or pseudotetrahedral oxoanions, the hydrolytic processes affecting the cationic moieties play a determinant role on the very nature of the final solid. In fact, despite the limited number of donor atoms in the anions, the crystal chemistry of these compounds is quite intricate because of both the variety of possible cationic aggregates and the many ways to interconnect them through pseudotetrahedral anionic groups.