Ionic liquids (ILs) are expected to have specific properties as solvents for chemical reactions in view of solution chemistry. Among physicochemical properties, liquid structure, acid–base, and electron-pair donating and accepting abilities of solvent play a crucial role in ion-solvation and acid–base, metal-ion complexation, and electrochemical reactions. Various types of ILs have been develop...

Mean spherical approximation (MSA) for electrolyte solution has been extended to investigate the role of partial solvent polarization densities around an ion in a completely asymmetric binary dipolar mixture. The differences in solvent diameters, dipole moments, and ionic size are incorporated systematically within the MSA framework in the present theory for the first time. In addition to the c...

This work answers an unsolved question that consists of determining the least number of water molecules necessary to separate a potassium chloride molecule. The answer based on accurate quantum chemical calculations suggests that tetramers are the smallest clusters necessary to dissociate KCl molecules. The study was made with Møller-Plesset second-order perturbation theory modified with the cl...

Nitrate aqueous solutions, Mg(NO(3))(2), Ca(NO(3))(2), Sr(NO(3))(2), and Pb(NO(3))(2), are investigated using Raman spectroscopy and free energy profiles from molecular dynamics (MD) simulations. Analysis of the in-plane deformation, symmetric stretch, and asymmetric stretch vibrational modes of the nitrate ions reveal perturbation caused by the metal cations and hydrating water molecules. Resu...

NMR experiments on sodium biphenyl (NaBp), potassium biphenyl (KBp) and ribidium biphenyl (RbBp), dissolved in various solvents are summarized with emphasis on the structural information which can be obtained from such experiments. The crystal structures of NaBp.2Tg (Tg = triglyme), KBp.2Ttg and RbBp.2Ttg (Ttg tetraglyme) are discussed, in relation to the NMR results obtained for these systems ...

A Schiff base compound 6-amino-5-(((2-hydroxynaphthalen-1-yl)methylene)amino)-2-mercaptopyrimidin-4-ol (AHM) in acetonitrile solvent is found to show “OFF–ON type” mode upon addition of Al3+ ion and successfully applied for selective recognition ion. In this work, the reconsideration excited state intramolecular proton transfer (ESIPT) twisted charge (TICT) has been explored detail based on den...

A comprehensive model has been developed for calculating electrical conductivities of aqueous or mixed-solvent electrolyte systems ranging from dilute solutions to fused salts. The model consists of a correlation for calculating ionic conductivities at infinite dilution as a function of solvent composition and a method for predicting the effect of finite electrolyte concentration. The effect of...

A conductance study of the interaction between Cs+, Rb+, NH4+, K+, T1+ and Ag+ ions and18-crown-6 (18C6), benzo-18-crown-6 (B18C6), dicyclohexyl-18-crown-6 (DC18C6),dicyclohexyl-24-crown-8 (DC24C8), dibenzo-24-crown-8 (DB24C8) in different binarymixtures of acetonitrile (AN) with dimethylsulfoxide (DMSO) and dimethylformamide (DMF)at 25 °C has been carried out. Formation constants of the result...

A liquid chromatography/tandem mass spectrometry (LC-MS/MS) method was established for the determination of 5-aminoimidazole-4-carboxamide (AICA) in human plasma. The method included a solvent extraction of AICA as an ion pair with 1-pentanesulfonate ion and a separation on a Hypersil ODS2 column with the mobile phase of methanol-water (68:32, v/v). Determination was performed using an electros...