Basis Of Intermolecular Interactions Research Articles

Two-dimensional coordination polymers containing permethylated motifs - promising candidates for 2D emerging materials. Structural, behavioral and functional particularities

Although three-dimensional metal-organic frameworks (3D MOFs) currently enjoy great attention in the scientific world due to their utility to address challenges concerning energy, environment cleaning and not only, very recently two-dimensional version of these, rather considered two-dimensional coordination polymers (2D CPs), have become of interest from the perspective of their approach as ultra-thin layered 2D materials. Different from the emerging 2D materials that are generally inorganic in nature (graphene or 2D allotropes of various elements, MXenes, etc.), 2D CPs contain both inorganic and organic blocks, offering wider possibilities for structural diversification and area of applicability. However, in the crystallization process, 2D CP layers often stack on the basis of intermolecular interactions, leading to higher dimensional materials, which limit the manifestation of the size-effect properties. Their isolation individually or in multilayers with thickness/surface aspect ratio as small as possible is a challenge that seeks solutions through top-down or bottom-up approaches, each of them having certain limits. An original pathway consists in the use of a permethylated ligand with lower surface energy which, through its orientation in the coordination process to the metal ion, favors the anisotropic growth of the polymer and ensures the shielding of the formed nanosheet structure preventing the establishment of noticeable interlayer interactions. Such unique two-dimensional coordination polymers recently reported by the authors and some new data about them are reviewed here from the perspective of their structural particularities, properties, reactivity, functionality, and reusability/recyclability potential.

STUDY OF INTERMOLECULAR INTERACTIONS THROUGH EXCESS THERMOACOUSTIC PARAMETERS IN BINARY MIXTURES OF PROPYLENE GLYCOL AND HEXANOL FOR HEAT TRANSFER APPLICATIONS

Ponte Academic JournalMay 2020, Volume 76, Issue 5 STUDY OF INTERMOLECULAR INTERACTIONS THROUGH EXCESS THERMOACOUSTIC PARAMETERS IN BINARY MIXTURES OF PROPYLENE GLYCOL AND HEXANOL FOR HEAT TRANSFER APPLICATIONSAuthor(s): K. Srisanthi ,Sk. Suriya Shibab, S. Sreehari SastryJ. Ponte - May 2020 - Volume 76 - Issue 5 doi: 10.21506/j.ponte.2020.5.4 Abstract:The investigation on relative strength and the nature of the intermolecular interaction have been done using Ultrasonic method. In our study Density, viscosity, Ultrasonic sound velocities are estimated, further thermo acoustical parameters and their excess values such as, excess adiabatic compressibility (KsE), excess intermolecular free length (LfE),excess free volume (VfE), excess Gibb’s free energy (GE), excess enthalpy (HE) and excess internal pressure (πE) have been measured for propylene glycol in Hexanol for various mole fractions. These results have been explained on the basis of intermolecular interactions between the components in the liquid mixture and correlations among the parameters are discussed. The study indicated that intermolecular hydrogen bond formation is stronger for (0.8 PG+0.2 Hexanol) molar ratio of the binary mixture liquid complex compare to that of other concentrations and hence this mixture is strongly recommended in therapeutical drugs, pharmaceutical industry and for the high heat transferability applications. Download full text:Check if you have access through your login credentials or your institution Username Password

Preparation and characterization of a novel nano-size titanium oxide-PVA (TiO2-PVA) composite ion exchange membrane

This paper presents the synthesis and characterization of Titanium oxide – poly vinyl alcohol (PVA) composite ion exchange membrane. The membrane consists of PVA as the base and titanium oxide, with different concentration, as the ionic conductor. The synthesised membranes were analysed on the basis of intermolecular interactions with the help of FT- IR spectroscopy. Characterization techniques such as SEM and TGA were carried out to analyse surface morphology and thermal properties of the synthesised membranes respectively. Transport number was obtained with the help of two compartment diffusion cell. Important parameters such as the water uptake and methanol uptake were also determined. The results were then compared to those available for a well-known commercial membrane called Nafion®. With the increase in the concentration of ionic conducting material from 0.1 g to 0.3 g in 100 ml of crosslinked - PVA solution, the transport number of the membrane increases from 0.86 to 0.89. Increase in the concentration of ionic conductor shows an insignificant effect on other properties like water uptake and methanol uptake and can be safely ignored. The transport number of the synthesized membranes were close to the transport number of Nafion, while the composite membrane performed better when it came to water uptake and methanol uptake as compared to Nafion.

Investigation of temperature and composition dependence of molecular interactions between phosphonium-based ionic liquid + N, N-dimethylformamide: A study of thermophysical properties

Understanding the thermophysical properties of ionic liquids (ILs) with organic solvents is crucial for the development of industrial applications. In this study densities (ρ), ultrasonic sound velocities (u) and viscosities (η) for binary mixtures of tri(butyl) methylphosphonium methylsulfate ([P4441][CH3SO4]) with N,N-dimethylformamide (DMF) were measured over the entire composition range at various temperatures (293.15–323.15 K) and at 0.1 MPa pressure. From ρ, u and η data, derived properties such as deviation in viscosities (Δη), excess molar volumes (VE) deviation in isentropic compressibilities (Δκs), mixture molar volume (Vm) volume fraction (θ1) excess expansion volume coefficient (αEp) and adiabatic compressibility (ks) and excess adiabatic compressibility (ksE), Partial molar volumes (V¯1 and V¯2) and excess partial molar volumes (V¯1Eand V¯2E) were calculated. For all the systems studied, negative to positive VE values were obtained while the Δκs and Δη values are negative, over the entire composition range and at all the studied temperatures. Results for these experimental and derived properties have been studied on the basis of intermolecular interactions between the components of the mixtures and in terms of hydrogen bonding, ion-dipole interaction and interstitial packing between ions of IL and molecular solvent. These experimental results and derived properties are beneficial for defining the molecular modelling, developing structure-property correlation and intermolecular interactions that occur between tri(butyl) methylphosphonium methylsulfate with DMF.

Ultrasonic Studies and Acoustic Parameters of Complexes Containing Copper Surfactants with 2-Amino-6-Methyl Benzo-thiazole

Background: Ultrasonic speed and density parameters have been measured in binary and ternary systems containing complexes of copper surfactants (caprylate, caprate, and laurate) with 2-amino-6-methyl benzothiazolein 80 % and 40% benzene-methanol mixture at constant temperature using thermostatic water bath. Objective: From these values, the specific acoustic impedance Z, adiabatic compressibility β, intermolecular free length Lf, apparent molar compressibility φk, have been calculated. These parameters were used to know and compare the CMC value of the system observed by other physical parameters like apparent molar volume, viscosity, surface tension, etc. Method: Different plots were plotted and it has been observed that the synthesized molecule is acting as surfactant at particular concentrations CMC its behavior deviates. Result: The results have been explained on the basis of intermolecular interactions and indicate that there is sufficient solute–solvent interaction due to which micellar alignment is considerably affected. The decrease in adiabatic compressibility β and intermolecular free length Lf of the copper surfactant complex solution with increasing concentration of copper surfactant complex in 80% and 40% benzene−methanol has been observed which suggest that the non-polar long chains or lypophilic segment of the molecule in the solution are enveloped by a layer of solvent molecules bound and oriented towards lypophilic end. Conclusion: The orientation of the solvent molecules around the solutes may be due to the influence of electrostatic fields of solutes and results in the increase in the internal pressure and in lowering the compressibility of the solution i.e. the solution becomes harder to compress. Keywords: Copper, surfactants, ultrasonic, 2-amino-6-methyl benzothiazole, solute, solvent.

Ultrasonic Studies of Cu(II) Soaps Derived from Mustard and Soya Bean Oils

Abstract Ultrasonic velocities have been measured in ternary mixtures containing copper soaps derived from mustard and soya bean in 20% and 40% methanol-benzene mixture to access the effect of polarity of solvent on the micellar features of surfactant. The studies suggest that predomination of benzene (higher percentage of non-polar solvent) play a significant role in compacting the molecular organization of the micelles. From these values, the specific acoustic impedance Z, adiabatic compressibility βad, intermolecular free length Lf, apparent molar compressibility ϕk, molar sound velocity R, primary solvation number Sn have been calculated. The data clearly indicate that the values of u, Z, Sn and R increase whereas the values of βad and Lf decrease consistently with increase of the soap concentration. The critical micelle concentration CMC has also been determined and it has been found that CMC is dependent on the composition of the solvent mixture and composition of the edible oil. The Masson equation has also been applied. The results have been explained on the basis of intermolecular interactions between solvent and solute.

Study of temperature dependant excess acoustical factors of mixtures of binary liquids of aniline with mesitylene at T= (303.15, 308.15, 313.15 and 318.15) K

Excess acoustical factors such as excess intermolecular free length (LfE), excess adiabatic compressibility (βE), excess acoustic impedance (ZE) and excess ultrasonic velocity (UE) have been computed from experimentally determined values of densities(ρ), ultrasonic velocities(u) and viscosities(η) in mixtures of binary liquids containing aniline with mesitylene at temperatures T=(303.15,308.15,313.15 and 318.15)K. These results have been explained on the basis of intermolecular interactions in liquid mixtures by fitting them in Redlich-Kister polynomial equation

Volumetric and Viscometric Properties of Alcohol Amines + Ethanol Binary Mixtures

The densities and viscosities of four binary mixtures [1-amino-2-propanol + ethanol, N-(2-aminoethyl) ethanolamine + ethanol, 3-amino-1-propanol + ethanol, N-(2-aminoethyl)-1,2-ethanediamine + ethanol] were measured at T = 293.15, 303.15, 313.15, and 323.15 K. The volumetric and viscometric properties, such as excess molar volume VE, partial molar volume V, partial molar volume at infinite dilution V∞, apparent molar volume Vφ, viscosity deviation Δη, and activation energy for viscosity flow Ea, were calculated from the experimental densities and viscosities, respectively. The excess molar volume and viscosity deviation were correlated by the Redlich–Kister equation, and the volumetric and viscometric properties were analyzed on the basis of intermolecular interactions between alcohol amine and ethanol molecules.

Study of molecular interactions in ternary non electrolyte solutions

Excess volume (VE123) and speed of sound (u123) data for three ternary mixtures were reported at 303.15K. The mixtures include 1,1,1-trichloroethane and acetophenone as common components. The non-common components were chosen as 1-alkanols namely 1-propanol, 1-butanol and 1-pentanol. The experimental speed of sound and density data of ternary mixtures were used to compute isentropic compressibility (κs123) and the quantity Δκs123, the difference between measured value and that computed from the constituent binary data. Further, experimental ternary excess volume data were compared with predictive expressions in terms of Redlich–Kister, Kohler and Tsao–Smith equations. The experimental data were analyzed on the basis of intermolecular interactions between component molecules and also in terms of constituent binary data.

Volumetric, acoustic and FT-IR spectroscopic study on ternary and constituent binary mixtures containing N-methylcyclohexylamine, nitrobenzene and 1-alkanols at 303.15 K

Excess volume (VE123) and speed of sound (u123) data for three ternary mixtures, containing N-methylcyclohexylamine and nitrobenzene as common components and 1-alkanols, namely, 1-propanol, 1-butanol or 1-pentanol as non-common component were reported at 303.15K. The experimental speeds of sound data of the mixtures were used to calculate the deviation in isentropic compressibility (Δks123). Further, experimental ternary excess volume data were compared with predictive relations in terms of Redlich–Kister, Kohler, Tsao–Smith and Hwang equations. Experimental results were analyzed on the basis of intermolecular interactions between component molecules with the help of FT-IR spectrum and also in terms of constituent binary mixtures.

Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide

Excess volume (VE), excess isentropic compressibility (κSE) and deviation in viscosity (Δη) were studied for eight binary systems of dimethylacetamide (DMA) with 1,2-dichlorobenzene, 1,3-dichlorobenzene, 1,2,4-trichlorobenzene, o-chlorotoluene, m-chlorotoluene, p-chlorotoluene, o-nitrotoluene and m-nitrotoluene in the entire composition range at 303.15K and atmospheric pressure. Excess volume data for the studied mixtures were measured directly using a single composition loading type dilatometer and compared with predictive expressions proposed by Redlich–Kister and Hwang. Moreover, the VE data in the present investigation were analyzed by using Prigogine–Flory–Patterson (PFP) theory. The speed of sound data was measured with a single crystal interferometer at a frequency of 3MHz and data were analyzed in terms of free length theory (FLT) and collision factor theory (CFT). Experimental viscosity data were measured by a suspended Ubbelohode-type viscometer, which in turn used to calculate deviation in viscosity and interaction parameters for various models such as Gruenberg–Nissan, Tamura and Kurata and Hind et al. The experimental data were discussed on the basis of intermolecular interactions between unlike molecules.

Density and speed of sound of 1-ethyl-3-methylimidazolium ethyl sulphate with acetic or propionic acid at different temperatures

In this work, new density, ρ, and speed of sound, u, were measured for IL, acetic acid, propionic acid, and their binary systems {IL (x1)+acetic or propionic acid (x2)} at 293.15, 298.15, 303.15, 308.15 and 313.15K under atmospheric pressure. The IL used in this study was 1-ethyl-3-methylimidazolium ethyl sulphate ([EMIM]+[EtSO4]−). The derived properties such as excess molar volumes, VmE, isentropic compressibility, κs, and deviation in isentropic compressibility, Δκs, were calculated using experimental density and speed of sound data, respectively. Derived properties such as excess molar volumes, VmE, and deviation in isentropic compressibility, Δκs, data were fitted to the Redlich–Kister polynomial equation. The measured and calculated data were interpreted on the basis of intermolecular interactions and structural effects between like and unlike molecules upon mixing.

Excess volume and isentropic compressibility study of ternary mixtures containing N-methylcyclohexylamine, chlorobenzene and 1-alkanols

Excess volume (VE123) and speed of sound data for the ternary mixtures were reported at 303.15 K for the ternary mixtures containing N-methylcyclohexylamine and chlorobenzene as common components and 1-alkanols namely 1-propanol, 1-butanol or 1-pentanol were chosen as non-common components. The experimental data of speed of sound (u) and density (ρmix123) of mixture were used to compute isentropic compressibility (ks123) and the quantity (Δks123), the difference between measured value and that of computed from the constituent binary data. Further, the experimental ternary excess volume data were compared with predictive relations. The measured data were analysed on the basis of intermolecular interactions between component molecules and also in terms of constituent binary data.

Excess Thermodynamic Properties of Ternary Mixtures of N-Methylcyclohexylamine and Toluene with 1-Alcohols

Abstract Excess volume and speed of sound data for the ternary mixtures were reported at 303.15 K over the entire composition range for three ternary mixtures containing N-methylcyclohexylamine and toluene as common components and 1-alcohols as third component, namely 1-propanol, 1-butanol, and 1-pentanol. The experimental speed of sound and density of ternary mixtures were used to compute isentropic compressibility (ḱs123) and the quantity Δks123, the difference between measured value and that computed from the constituent binary data. Further, the experimental ternary excess volume data were compared with calculated data obtained by empirical relations proposed by Redlich–Kister, Kohler, Tsao–Smith, and Hwang. The results were analyzed on the basis of intermolecular interactions between component molecules and also in terms of constituent binary data.

Thermophysical properties for the mixed solvents of N-methyl-2-pyrrolidone with some of the imidazolium-based ionic liquids

This work presents the thermophysical properties and structure of N-methyl-2-pyrrolidone (NMP) in the binary mixtures with 1-alkyl-3-methyl imidazolium cation [amim]+ with different anions (chloride, methyl sulfate and tetrafluoroborate) of ionic liquids (ILs). A comprehensive set of properties such as densities (ρ), ultrasonic sound velocities (u) and viscosities (η) have been measured at the temperature range from 298.15 to 313.15K over the whole concentration range of ILs under atmospheric pressure. The ILs used for the present study included 1-ethyl-3-methylimidazolium methylsulfate [Emim][MeSO4], 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4], 1-ethyl-3-methyl imidazolium chloride [Emim][Cl] and 1-butyl-3-methylimidazolium chloride [Bmim][Cl] from imidazolium family of ILs. From these experimental data, the excess molar volume (VE), the deviation in isentropic compressibility (Δκs) and deviation in viscosity (Δη) were calculated and adequately correlated by using the Redlich–Kister polynomial equation. The measured and calculated data were interpreted on the basis of intermolecular interactions and structural effects between like and unlike molecules upon mixing.

Evaluation of Thermophysical Properties of Ionic Liquids with Polar Solvent: A Comparable Study of Two Families of Ionic Liquids with Various Ions

In this work, we explore and compare the role of the ion effect on the thermophysical properties of two families of ionic liquids (ILs), namely, tetra-alkyl ammonium cation [R4N](+) with hydroxide [OH](-) anion and 1-alkyl-3-methyl imidazolium cation [amim](+) with different anions (chloride, methyl sulfate, and tetrafluoroborate), with polar solvent such as dimethylsulfoxide (DMSO) in the temperature range from 25 to 40 °C and over the whole concentration range of ILs. Two families of ILs, namely, tetramethyl ammonium hydroxide [(CH3)4N][OH] (TMAH), tetraethyl ammonium hydroxide [(C2H5)4N][OH] (TEAH), tetrapropyl ammonium hydroxide [(C3H7)4N][OH] (TPAH), and tetrabutyl ammonium hydroxide [(C4H9)4N][OH] (TBAH) from ammonium-based ILs and 1-ethyl-3-methylimidazolium chloride [Emim][Cl], 1-ethyl-3-methylimidazolium methylsulfate [Emim][MeSO4], 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4], and 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) from imidazolium family of ILs, are used in the present study. To address the molecular interactions of ILs with DMSO, densities (ρ), ultrasonic sound velocities (u), and viscosities (η) have been measured over the entire composition range and at four temperatures, 25, 30, 35, and 40 °C, under atmospheric pressure. From these experimental data, the excess molar volume (V(E)), the deviation in isentropic compressibility (Δκs), and the deviation in viscosity (Δη) were calculated and were adequately correlated by using the Redlich-Kister polynomial equation. The measured and predicted data were interpreted on the basis of intermolecular interactions and structural effects between like and unlike molecules upon mixing. The hydrogen-bonding features between ammonium-based ILs and DMSO were analyzed using molecular modeling program by HyperChem 7.

Volumetric properties of ternary mixtures of sulfolane with 2-alkoxyethanols and ethylene glycols at T = 303.15K

Densities of the ternary mixtures containing 2-methoxyethanol (2ME), 2-ethoxyethanol (2EE), 2-propoxyethanol (2PE), sulfolane (SULF) and ethylene glycols [ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TEG), and tetraethylene glycol (TETRAEG)] have been measured, at T=303.15K and atmospheric pressure, over the whole composition range. From these experimental data, the excesses of molar volume (V123E) were calculated. These quantities were fitted to the Cibulka polynomial equation to derive the ternary adjustable parameters and standard errors.The results are discussed on the basis of intermolecular interactions between the components of the analysed mixtures.

Volumetric, viscometric and optical study of molecular interactions in binary mixtures of diethyl malonate with ketones at 303.15, 308.15 and 313.15K

Density ?, viscosity ?, and refractive index nD were measured for the binary mixtures of diethyl malonate with ketones (acetophenone, cyclopentanone, cyclohexanone and 3-pentanone) at temperatures (303.15, 308.15 and 313.15) K over the entire composition range. Excess volume VE, deviation in viscosity ??, excess Gibb?s free energy of activation for viscous flow ?GE and deviation in molar refraction ?R were determined from the experimental data and computed results were fitted to the Redlich-Kister polynomial equation. The values of VE, ??, ?GE, and ?R were plotted against the mole fraction of diethyl malonate. The observed positive and negative values of excess parameters for all the studied binary mixtures were explained on the basis of intermolecular interactions present in these mixtures. Further different empirical relations were used to correlate the binary mixture viscosities and refractive indices.

Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K

Densities ( ρ) and ultrasonic sound velocities ( u) have been measured over the whole composition range for the binary mixtures of tetrahydrofuran (THF) with 1,2-dichlorobenzene (1,2-DCB), 1,3-dichlorobenzene (1,3-DCB), 1,2,4-trichlorobenzene (1,2,4-TCB), o-chlorotoluene ( o-CT), m-chlorotoluene ( m-CT), p-chlorotoluene ( p-CT), o-nitrotoluene ( o-NT) and m-nitrotoluene ( m-NT) at 298.15 K and atmospheric pressure. To gain some insight into the several aggregations of molecular interactions present in these mixed solvents, we determined the excess molar volume ( V E) and the deviation in isentropic compressibilities (Δ κ s) as a function of the concentration of THF from the measured ρ and u, respectively. The V E values have been correlated using Redlich–Kister and Hwang et al. equations. The V E data is completely positive over the entire mole fraction range in all the binary mixtures of THF with chlorobenzenes, chlorotoluenes and nitrotoluenes. The sound velocity data have been obtained in terms of free length theory (FLT) and collision factor theory (CFT). The Δ κ s values have been correlated using Redlich–Kister equation. The values of Δ κ s were negative over the entire composition range in all the binary mixtures under the same experimental conditions. The measured data were discussed on the basis of intermolecular interactions and structural effects between unlike molecules. Based on our V E data of THF + DCBs or TCB and THF + chlorotoluenes are compared with existing V E data of THF + chlorobenzene (CB) and THF + toluene (TE), respectively.

Viscosities of ternary mixtures 2-alkoxyethanol + sulfolane + ethylene glycols atT = 303.15 K

Viscosities of the ternary mixtures containing 2-methoxyethanol (ME) or 2-ethoxyethanol (EE), sulfolane (SULF) and ethylene glycols [ethylene glycol (EG), diethylene glycol (DEG), triethylene glycol (TEG) and tetraethylene glycol (TETRAEG)] have been measured, at T = 303.15 K and atmospheric pressure, over the whole composition range. From these experimental data, the deviations in viscosities (Δη 123) were calculated. These quantities were fitted to the Cibulka polynomial equation to derive the ternary adjustable parameters and standard errors. The results are discussed on the basis of intermolecular interactions between the components of the analysed mixtures.