Ionic Liquid Forms Research Articles

Tailoring amphotericin B as an ionic liquid: an upfront strategy to potentiate the biological activity of antifungal drugs.

Aspergillus species are the primary cause of invasive aspergillosis, which afflicts hundreds of thousands of patients yearly, with high mortality rates. Amphotericin B is considered the gold standard in antifungal drug therapy, due to its broad-spectrum activity and rarely reported resistance. However, low solubility and permeability, as well as considerable toxicity, challenge its administration. Lipid formulations of amphotericin B have been used to promote its slow release and diminish toxicity, but these are expensive and adverse health effects of their prolonged use have been reported. In the past decades, great interest emerged on converting biologically active molecules into an ionic liquid form to overcome limitations such as low solubility or polymorphisms. In this study, we evaluated the biological activity of novel ionic liquid formulations where the cholinium, cetylpyridinium or trihexyltetradecylphosphonium cations were combined with an anionic form of amphotericin B. We observed that two formulations increased the antifungal activity of the drug, while maintaining its mode of action. Molecular dynamics simulations showed that higher biological activity was due to increased interaction of the ionic liquid with the fungal membrane ergosterol compared with amphotericin B alone. Increased cytotoxicity could also be observed, probably due to greater interaction of the cation with cholesterol, the main sterol in animal cells. Importantly, one formulation also displayed antibacterial activity (dual functionality), likely preserved from the cation. Collectively, the data set ground for the guided development of ionic liquid formulations that could improve the administration, efficacy and safety of antifungal drugs or even the exploitation of their dual functionality.

In Situ Synthesis and Applications for Polyinterhalides Based on BrCl.

The use of neat BrCl in organic and inorganic chemistry is limited due to its gaseous aggregate state and especially its decomposition into Cl2 and Br2. The stabilization of BrCl in form of reactive ionic liquids via a novel in situ synthesis route shifts this equilibrium drastically to the BrCl side, which leads to safer and easier‐to‐handle interhalogenation reagents. Furthermore, the crystalline derivatives of the hitherto unknown [Cl(BrCl)2]− and [Cl(BrCl)4]− anions were synthesized and characterized by single‐crystal X‐ray diffraction (XRD), Raman and IR spectroscopy, as well as quantum chemical calculations.

Thermophysical and thermodynamic properties of binary liquid systems of [BMIM]+[MeSO4]−ionic liquid with carboxylic acids

The thermophysical properties of binary mixtures of 1-butyl-3-methylimidazolium methyl sulphate [BMIM] + [MeSO 4 ] − ionic liquid (IL), with acetic acid or propionic acid were determined via measurements of density (ρ) and speed of sound (u) in the range of mole fractions from 0.1 to 1.0 at various temperatures from T = (293.15 - 313.15) K at 5 K interval under atmospheric pressure of 0.1 MPa. From these measured values, the thermodynamic parameters, namely, isentropic compressibility ( ), deviation in isentropic compressibility (Δ ), excess molar volume ( ) and intermolecular free length ( ) were computed. It was observed that and Δ decreased with increasing the temperature. Furthermore, their values were negative throughout the whole range of binary compositions. The measured data and variations in derived thermodynamic values suggest that significant interactions occur when the ionic liquid forms a binary mixture with a carboxylic acid. These derived thermodynamic parameters ( , and Δ ) were correlated using the Redlich-Kister polynomial equation to generate binary factors and standard errors.

Thermal analysis of kerosene with 1,2-methyl ethyl 1-methyl pyrrolidinium bis(trifluoromethanesulfonyl) amide as an additive

This paper reports the thermal characterization of kerosene fuel-doped ionic liquid (1, 2-methylethyl 1-methyl pyrrolidinium bis(trifluoromethanesulfonyl) amide) (MEMP TFSA), an antistatic additive used in jet fuel engines. The ionic liquids (ILs) samples are prepared with the mass of 5, 10 and 15% in the kerosene fuel. These fuel samples are subjected to thermal decomposition studies at different scanning rates of 5, 10 and 15 °C min−1 using the differential scanning calorimetry (DSC) method. The onset temperatures of exothermic reactions of kerosene-doped ILs are increased from 360–465 °C, when the mass percentage of ILs increased in the kerosene fuel. The boiling point of the kerosene-doped ILs was displaced to the higher temperature when compared to the pure kerosene. This showed that the doping of antistatic additives of ILs with kerosene increased its thermal stability property than the pure kerosene fuel. The thermo-kinetic studies are also carried out using Ozawa’s Kinetic method to determine the activation energy (Ea) and pre-exponential factor (A). The FTIR analysis showed that the kerosene-doped ionic liquid forms a homogenous mixture rather than prevailing separately.

The Use of Conductive Polymers Embedded Macro Porous Pei and Ionic Liquid Form of Pei Cryogels for Potential Conductometric Sensor Application to CO2

Polyethyleneimine (PEI) cryogels with interconnected superporous morphology were synthesized via the cryopolymerization technique. Then, conductive polymers, poly(Aniline) (PANi), poly(Pyrrole) (PPy), and poly(Thiophene) (PTh) were prepared within these PEI cryogels. Then, the conductive polymer embedding PEI composites’ characterization was carried morphologically using scanning electron microscope (SEM) by means of Fourier Transform Infrared Radiation (FT-IR) spectrometer, and by means of electrical conductivity measurements using an electrometer. Among all the prepared cryogel conductive polymer composites, the highest value in terms of conductivity was determined for PEI/PANi cryogel composites with 4.80 × 10−3 S.cm−1. Afterward, to prepare polymeric ionic liquid (PIL) forms of PEI and PEI/PANi composites. To assess the effect of anions on the conductivities of the prepared composites, PEI-based cryogels were anion ex-changed after protonation with HCl by treatment of aqueous solutions of sodium dicyanamide (Na+[N(CN)2]−), ammonium hexafluorophosphate (NH4+[PF6]−), sodium tetrafluoroborate (Na+[BF4]−), and potassium thiocyanate (K+[SCN]−), separately. Furthermore, PEI-based cryogel composites and their PIL forms were tested as a sensor for CO2 gas. The higher conductivity changes were observed on bare PEI cryogel and PEI+[BF4]− PIL cryogels with 1000-fold decrease on conductivity upon 240 min CO2 exposure. The sensitivity and recovery percent of bare PEI and PEI+[BF4]− PIL cryogels were shown almost the same with a two-fold decrease in the presence of 0.009 mole of CO2 gas, and approximately 30% recovery after the fifth consecutive reuse.

A new methodology for a detailed investigation of quantized friction in ionic liquids.

When confined at the nanoscale between smooth surfaces, an ionic liquid forms a structured film responding to shear in a quantized way, i.e., with a friction coefficient indexed by the number of layers in the gap. So far, only a few experiments have been performed to study this phenomenon, because of the delicate nature of the measurements. We propose a new methodology to measure friction with a surface force balance, based on the simultaneous application of normal and lateral motions to the surfaces, allowing for a more precise, comprehensive and rapid determination of the friction response. We report on proof-of-concept experiments with an ionic liquid confined between mica surfaces in dry or wet conditions, showing the phenomenon of quantized friction with an unprecedented resolution. First, we show that the variation of the kinetic friction force with the applied load for a given layer is not linear, but can be quantitatively described by two additive contributions that are respectively proportional to the load and to the contact area. Then, we find that humidity improves the resistance of the layers to be squeezed-out and extends the range of loads in which the liquid behaves as a superlubricant, interpreted by an enhanced dissolution of the potassium ions on the mica leading to a larger surface charge. There, we note a liquid-like friction behavior, and observe in certain conditions a clear variation of the kinetic friction force over two decades of shearing velocities, that does not obey a simple Arrhenius dynamics.

Self-healing and high stretchable polymer electrolytes based on ionic bonds with high conductivity for lithium batteries

Flexible solid-state lithium batteries based on self-healing electrolytes are promising alternatives to resolve battery breakage issues in wearable electronic devices. However, self-healing electrolytes for lithium batteries are far from wide applications for their low ionic conductivity and limited self-healing capability. Now, a new kind of composite self-healing electrolyte is fabricated based on dicationic polymerized ionic liquids (PILs) as a backbone filled in an ionic liquid within interspaces among chain segments. The self-healing function is realized through reversible ionic bonds constructed by abundant cations and anions existing in polymer chains and ionic liquids in the interspaces. Moreover, the polymer backbone incorporated with the ionic liquid forms a sea-island system that works as interlaced channels for Li+ transfer, boosting the ionic conductivity of the electrolytes. As a result, the composite electrolytes exhibit efficient self-healing performance, good flexibility and high ionic conductivity. This work provides a brand new vision and considerable potential for developing self-healing lithium batteries.

Ionic liquid form of donepezil: Preparation, characterization and formulation development

The aim of this study was to transform donepezil into ionic liquids (ILs) to promote its skin permeability for developing a new delivery mode of donepezil. Donepezil ILs were formed by pairing with docusate, ibuprofen and four unsaturated fatty acids. The synthesized ionic liquids were fully characterized by thermal analysis, fourier transform infrared spectroscopy, and nuclear magnetic resonance spectrometer analysis. Physicochemical properties, such as solubility and partition coefficients, were measured at 25 °C. The potential toxicity of ILs was evaluated against human neuroblastoma SH-SY5Y cells. In vitro Electrophorus electricus acetylcholinesterase inhibitory activity and docking study were also conducted to evaluate the potential effect on inhibition of acetylcholinesterase activity after the formation of ILs. Blood-Brain Barrier (BBB) Parallel Artificial Membrane Permeability Assay and Skin Parallel Artificial Membrane Permeability Assay were carried out to evaluate the BBB permeability and skin permeability, respectively. Furthermore, drug-in-adhesive transdermal patches were prepared to explore the feasibility of developing donepezil ILs for transdermal delivery. Ionic liquids with α-linolenic and docosahexaenoic acid were more permeable through artificial skin membrane than the free base of donepezil, indicated by 1.9- and 1.55-fold increase in the permeability coefficients, respectively. In addition, donepezil ILs loaded adhesive patches had advantage in skin permeation compared to the corresponding free base patch. The formation of ionic liquid provided a new versatile platform to facilitate transdermal delivery.

Functionalization of halloysite nanotubes with polyethyleneimine and various ionic liquid forms with antimicrobial activity

ABSTRACTHalloysite nanotube (HNT), a natural clay, was modified with branched polyethyleneimine (PEI) to form PEI‐HNT using epichlorohydrin (ECH) as coupling agent, then protonated with HCl to obtain H‐PEI‐HNTs providing [NH3]+[Cl]− functionality for potential antimicrobial properties. Upon PEI modification, zeta potential value of HNTs was increased to +37.3 mV from −34.5 mV and to +41.1 mV for H‐PEI‐HNTs. Only 1.87 wt % H‐element in HNT was increased to 3.03 wt % upon PEI modification along with newly generated elements of N and C at 2.99 and 9.93 wt %, respectively. Moreover, ionic liquid (IL) forms of HNTs with [NH3]+[N(CN)2]−, [NH3]+[PF6]− and [NH3]+[BF4]− functionality were generated via anion exchange of H‐PEI‐HNTs with sodium dicyanamide (SDC), ammonium hexafluorophosphate (AHFP), and sodium tetrafluoroborate (STFB). The antimicrobial properties of the modified, protonated, and IL forms of HNTs were determined via macro dilution, diffusion and agar screening tests against Escherichia coli ATCC 8739, Pseudomonas aeruginosa ATCC 10145, Bacillus subtilis ATCC 6633, Staphylococcus aureus ATCC 6538 strains, and Candida albicans ATCC 10231 strains. It was found that H‐PEI‐HNTs possesses potent antimicrobial effect compared with the other forms of HNTs with 2–4 mg mL−1 MIC and 8–16 mg mL−1 MBC values via the macro dilution method. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48352.

Ionic Liquid Electrolytes – from Novel Separators to Solid Polymer Electrolytes

One of the significant challenges to the application of ionic liquid electrolytes (ILE’s) is the ability to identify separators that can be effectively ‘wetted’ by the electrolyte. There has been significant work in identifying appropriate commercial separators for these electrolytes, with varying degrees of success [1]. To-date, the most effective separator for ILE’s is glass fibre, however, this material has large, open pore structure and this requires it to relatively thick to prevent short circuits between the electrodes. As a consequence, there is a need to identify new materials / structures that can lead to innovative separators that can allow ILE’s to be effectively used in batteries. To this end, we have examined the use of a “supported” electrospun membrane to be able to “tailor” the interfaces of the electrodes, but also allow effective wetting of the separator with an ILE to enable use in a lithium-ion battery [1]. However, in doing this, we have now made a “simple” separator far more complex in order to address the ILE wetting problem. So the question needs to be asked – can we combine the properties of the complex separator with an ILE into one solution, such as a solid polymer electrolyte? Further, can we improve these materials by exploiting micro-phase structured morphologies to provide us with enhanced mechanical properties as well? One type of these micro-phase structured polymers [2], known as PILBlox, is made of a high Tg block for mechanical strength and a low Tg ionic block for ionic conductivity [3, 4]. Combining PILBlox with a lithium based ionic salt and an ionic liquid forms a polymer electrolyte which ideally maintains the micro-phase separation present of the pure PILBlox polymer, and confines the ionic salt and ionic liquid to the ionic block of the polymer [4, 5]. In this presentation, we will describe our efforts to make innovative separators using electrospinning techniques and the resulting electrochemistry, before turning our attention to the PILBlox materials and examining their physical properties and their potential use in solid state batteries. References Francis. C., et al., manuscript in preparation, 2018.Bates, F.S., Polymer-Polymer Phase-Behavior. Science, 1991. 251(4996): p. 898-905.Dean, J.M., et al., Micellar structure and mechanical properties of block copolymer-modified epoxies. Journal of Polymer Science Part B-Polymer Physics, 2001. 39(23): p. 2996-3010.Nykaza, J.R., et al., Polymerized ionic liquid diblock copolymer as solid-state electrolyte and separator in lithium-ion battery. Polymer, 2016. 101: p. 311-318.Meek, K.M. and Y.A. Elabd, Polymerized ionic liquid block copolymers for electrochemical energy. Journal of Materials Chemistry A, 2015. 3(48): p. 24187-24194.

Development of triflumizole ionic liquids containing anions of natural origin for improving the utilization and minimizing the adverse impacts on aquatic ecosystems

Triflumizole, a broad-spectrum systemic fungicide, has been widely used for the management of fungal diseases in plants. However, rapid photolysis and high risk to the aquatic environment limit its application. Ionic liquid (IL) forms of active pharmaceutical ingredients are innovative and promising agents that can optimize the application of the starting chemicals through the selection, or functionalization of the counterions (cation or anion). In this study, triflumizole was paired with various natural organic acids to develop novel ILs for improving the physicochemical properties and reducing the toxicity to fish. The results showed that the obtained ILs had low surface tension and lipophilicity and could protect triflumizole against degradation under UV irradiation as well as exhibit more excellent biological activity against Botrytis cinerea than triflumizole. The IL forms of triflumizole reduced the dosage and frequency of this fungicide, accordingly minimized the negative effect on environment. The IL contained salicylic acid as anion decreased > 4-fold toxicity to adult zebrafish over TFM. The results reported here create new application possibilities for imidazole fungicides and offer some heuristic rules for the design of active pharmaceutical ingredients-ionic liquids.

Synthesis, characterisation and antioxidant properties of ferulate-based protic ionic liquids: Experimental and modelling approaches

Active pharmaceutical ingredients (APIs) in the form of crystalline solid are commonly produced in drug manufacturing industries. However, crystalline solid APIs have a low solubility and the ability to cause polymorphism transformation. In order to overcome these problems, a modification of APIs in the form of protic ionic liquids (PILs) has been proposed. In the present study, a series of five ferulate-based PILs were successfully synthesised and characterised by appropriate spectral analysis. The antioxidant activity of synthesised PILs was determined through the 2,2‑diphenyl‑1‑picrylhydrazyl (DPPH) free radical scavenging assays. The spectroscopy analysis confirmed the formation of PILs supported by the Density Function Theory (DFT) calculation. The synthesised ferulate-based PILs exhibited low EC50 ranging from 12.93 ± 0.05 to 17.40 ± 0.04 μM indicating a strong antioxidant activity compared to parent acid (EC50 of 21.40 ± 0.05 μM). Prediction of antioxidant activity of the PILs and their ionic interactions at the molecular level were studied by applying DFT calculation at B3-LYP/6-311G*** level and COSMO-RS. Based on the optimised geometry, the ion-pair of PILs formed a strong directional intermolecular hydrogen bond between the –NH group of the cation with the –COOH group of the anion with interaction energy of −111 to −120 kcal mol−1. Predicted antioxidant activity indicated that the PILs's cation has a weak interaction with an anion as observed from the σ-potential analysis.

Thermophysical Properties of 1-Hexyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Solutions of Glycine and l-Alanine

The effect of 1-hexyl-3-methylimidazolium salicylate, [HMIm][Sal] as an ionic liquid form of active pharmaceutical ingredient (API-IL) on the thermodynamic behavior of two simple amino acids, glycine and l-alanine have been investigated. The densities, speeds of sound, viscosities, and refractive indices of the amino acids in the mixtures of ([HMIm][Sal] + water) have been determined at T = 298.15 K. Moreover, the electrical conductivities of the studied API-IL in water and aqueous mixtures of the amino acids have been calculated using the measured specific conductivities. The measured data were utilized to compute the partial molar volume of transfer (ΔtraVϕ0), partial molar isentropic compressibility of transfer (Δtraκϕ0), viscosity B-coefficient of transfer (ΔtraB), ion association constant (KA), and molar refraction (RD) quantities. The increase in the positive values of ΔtraVϕ0, Δtraκϕ0 and ΔtraB with an increase in the API-IL concentration indicates that the ion–polar and polar–polar interactions be...

Ionic Liquid Forms of Carvedilol: Preparation, Characterization, and Solubility Studies

Pharmaceutically active compounds (API) in solid form have several disadvantages which may include polymorphism, poor solubility, and low bioavailability. To overcome these issues, API-based ionic liquids have been proposed to solve this problem. Solvent evaporation method was selected to prepare ionic liquid forms of CVD. A binary mixture of CVD with citric acid, tartaric acid, and saccharin in 1:1 M ratio was dissolved in 5 ml of methanol then they left 4 days for solvent evaporation. The solubility of CVD and prepared ionic liquids were measured in different media. A viscous yellow liquid in all cases was obtained. More than three-unit differences between pKa of CVD and studied compounds and characterization by different instrumental analysis methods confirmed the formation of an ionic liquid form of CVD and the prepared ionic liquids could significantly change the solubility of CVD. Overall, ionic liquids of CVD could be used for overcoming the disadvantages of its solid form and increasing CVD solubility. However, pH, type, and concentration of dissolution medium and the solubility of counter-ions are critical issues which they should be considered in evaluating solubility of CVD and its ionic liquid forms.

Fabrication of Stable and Well‐connected Proton Path in Catalyst Layer for High Temperature Polymer Electrolyte Fuel Cells

AbstractIt is of importance to establish stable and well‐connected proton path in the catalyst layer to promote the fuel cell performance. Here, we describe a novel method to fabricate stable and efficient proton path for high temperature polymer electrolyte fuel cells (HT‐PEFCs), in which the ionic liquid is doped into the platinum electrocatalyst. The electrochemical results depict that ionic liquid doped electrocatalyst exhibits comparable electrochemical surface area (ESA) and enhanced durability indicating that ionic liquid negligibly affects the hydrogen adsorption/desorption process and protects the electrocatalyst from carbon corrosion. Interestingly, the catalyzing activity toward oxygen reduction reaction (ORR) of Pt electrocatalyst is boosted after doping with ionic liquid mainly due to the modified electronic structures of Pt atoms induced by nitrogen atoms from ionic liquid resulting in weak interaction between Pt atoms and intermediates. The fuel cell performance of ionic liquid doped electrocatalyst is much improved ascribed to the homogeneously dispersed ionic liquid on the surface of Pt electrocatalyst facilitating the fabrication of triple phase boundaries (TPBs) as a result of efficient proton conduction in the catalyst layer. The fuel cell performance only decreases 10 % after 100,000 potential cycles from 1.0 to 1.5 V versus RHE suggesting that ionic liquid forms a stable proton path in the catalyst layer. Thus, the ionic liquid doped Pt electrocatalyst is applicable for the real HT‐PEFC operation.

Interaction Between an Active Pharmaceutical Ingredient Ionic Liquid Benzalkonium Salicylate and Small Biomolecules in Aqueous Solution: UV Absorption, Conductivity, and Volumetric Study

UV absorption spectroscopy, electrical conductivity and density experiments have been used to investigate the interactions of some small biomolecules (amino acids/dipeptides) with an active pharmaceutical ingredient in ionic liquid form (API-IL), benzalkonium salicylate (BaSal), in aqueous solution. A number of useful parameters, such as critical micellar concentration (cmc), aggregation number (Nagg) and limiting molar conductivity (Λ0) of BaSal, standard partial molar volumes (\(V_{2,\phi }^{ \circ }\)), corresponding volumes of transfer from water to aqueous BaSal solutions (ΔtrVo), standard partial molar expansibilities (\(E_{\phi }^{ \circ }\)), hydration number (nH) of small biomolecules, as well as the binding constants (Kb) for small biomolecule–BaSal complexes have been evaluated. The dependence of the properties on concentration, temperature and alkyl chain length of amino acids/dipeptides is examined. The results are used to identify the solute–solvent physicochemical interactions occurring in the studied systems.

Chemical Tuning of Zwitterionic Ionic Liquids for Variable Thermophysical Behaviours, Nanostructured Aggregates and Dual-Stimuli Responsiveness.

The design and synthesis of a series of zwitterionic ionic liquids (ZILs) to understand the structure-property relationship towards an increase of the thermal stability, a variation of the glass transition temperature, the shape-tuning of nanostructured aggregates and the tuning of the stimuli responsiveness are demonstrated. The substitution reaction of imidazole with various aliphatic and aromatic bromides followed by the reaction of the corresponding substituted imidazoles with bromoalkyl carboxylic acids of varying spacer length produces the ZILs. In aqueous solution, a ZIL molecule either exist in its ionic liquid (substituted imidazolium bromide) form or its zwitterionic (substituted imidazolium alkyl carboxylate) form with an isoelectric point (pI) depending on the pH value of the solution. Upon changing the pH to near or above the pI, the aqueous ZIL solution undergoes transition from a transparent to a turbid phase due to the formation of insoluble hierarchical nanostructured aggregates of various morphologies, such as spheres, tripods, tetrapods, fern-like, flower-like, dendrites etc. depending on the pH of the solution and the nature of the alkyl/vinyl/aryl substituents. Upon heating the solution a phase transition occurs from turbid to transparent, exhibiting a distinct reversible upper critical solution temperature (UCST)-type cloud point (Tcp ). It is observed that the cloud point varies with the nature of the substituent, an increase of the concentration of the ZIL as well as with changes of the pH of the solution.

Can Melting Point Trends Help Us Develop New Tools To Control the Crystal Packing of Weakly Interacting Ions?

Ionic liquid forms of biologically active molecules (e.g., active pharmaceutical ingredients or herbicides) are often designed by using weakly interacting, conformationally flexible ions. However, crystalline forms of these molecules involve strong interactions and efficient packing. The salts of biologically active molecules may completely lack the directional supramolecular synthons typically used in crystal engineering, and thus new tools must be developed to control the crystal packing without strong directional interactions and predict their structure–property relationships in advance. The crystal structures of tetrabutylammonium and phosphonium salts of two structurally related, biologically active ions, salicylate and dicamba, show systematic differences from their free acids and metal salts, which are dominated by strong directional interactions. Molecular conformation and the structure of oligomeric ions of acids and their conjugate bases are conserved across multiple structures. The use of flexible, weakly coordinating cations to make salts of high melting biologically active acids can dramatically change melting points based on the size and shape complementarity of the ions and the ability of the cations to enhance anion–anion repulsion.

Esterquat herbicidal ionic liquids (HILs) with two different herbicides: evaluation of activity and phytotoxicity

Novel weed control agents in the form of herbicidal ionic liquids comprising two different herbicides as a cation and an anion.

Experimental and density functional theory studies on benzalkonium ibuprofenate, a double active pharmaceutical ingredient

Molecular aspects of a double active pharmaceutical ingredient in ionic liquid form, benzalkonium ibuprofenate (BaIb), were studied using density functional theory (DFT/B3LYP/6-31+G (d, p)). A detailed discussion on optimized geometry, energy, heat and the enthalpy of BaIb was carried out. The computed vibrational results agree well with the experimental results. The stability and biological activity were compared to the parent drugs on the basis of global descriptive parameters. The electrophilic and nucleophilic sites were pointed out in the MESP structures well evidently. NBO analysis was also done to predict the relative aromaticity, delocalization effects and the contribution towards stabilization energy of the title compound. The information about non-covalent, non-ionic weak interaction between the cation and anion was obtained from the list of Mulliken charges and NBO analysis.