The anion-cation interactions are optimized against the experimentally determined solution activity derivative at 2.5 m. This property directly depends on ion-ion interactions, thus making it an excellent target for parameterization. We opt for this indirect approach because directly parameterizing anion-cation interactions from quantum mechanical calculations is not feasible, as described belo...

The asymmetric unit of the title compound, (C(6)H(20)N(4))(2)[Sn(2)S(6)], comprises half of a [Sn(2)S(6)](4-) anion and a diprotonated tris-(2-amino-eth-yl)amine cation. The anion lies on an inversion center, while the atoms of the cation occupy general positions. An intra-molecular N-H⋯N hydrogen bond is observed in the cation. In the crystal, strong N-H⋯S hydrogen bonding between the terminal...

The transport properties of various anion and cation exchange membranes were studied in different electrolyte solutions using chronopotentiometry technique to get insight about the influence of the counter ion on the transport properties of the membranes. The investigated samples include heterogeneous ion exchange membranes varying in the functionality of fixed charged gro...

A new proton transfer compound, formulated as (Hamp-6-pic)(Hpyzd) ∙H2O (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (H2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. Extensive O−H×××O, N−H×××N and O−H×××O hydrogen bonds involving (Hamp-6-pic)+ cation, (Hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

We present a computational analysis of the short-range structure three protic ionic liquids based on strong organic acids: trifluoracetate, methanesulfonate, and triflate triethylammonium. Accurate ab initio computations carried out gas-phase dimers show that protonation triethylamine is spontaneous. have identified anion-cation binding motif due to presence hydrogen bond electrostatic interact...

The asymmetric unit of the title compound, [Ni(C(3)H(10)N(2))(2)(H(2)O)(2)](C(4)O(4))·4H(2)O, contains one-half of the diaqua-bis(1,3-propane-diamine)nickel(II) cation, one-half of the centrosymmetric squarate anion and two uncoordinated water mol-ecules. In the cation, the Ni(II) atom is located on a crystallographic inversion centre and has a slightly distorted octa-hedral coordination geomet...

Cation–anion interactions and Li ion coordination structure have a significant impact on dynamic correlations transference number of glyme–Li salt molten mixtures.

Onsager made corrections to the Poisson–Boltzmann equation, more correctly describe interactions in asymmetric electrolytes (those which have different charges, absolute value, for cation and anion). The equations established by allow calculation of symmetric total correlation functions, such that hij(r)=hji(r). In this article it has been shown these describing particular electrolytes, can als...

groundwater is a major source of water for domestic, industrial, and agricultural sectors in many countries. the main objective of this research was to provide an overview of present groundwater quality using parameters such as calcium, magnesium, sodium, chloride, sulfate, ph, and electrical conductivity (ec) in the mehran plain, ilam province using gis and geostatistical techniques. a total o...

Structure, and consequently properties, of ionic liquids can be easily tailored by changing cation/anion combinations and/or attaching functional groups. By grafting enantiopure moieties to the framework liquid it is possible prepare bioinspired chiral molecules that serve as a reaction medium, additive or even asymmetric catalyst. In this context, new (CILs), based on biomolecules, such aminoa...