Sharif Digital Repository

A simple gelating process is developed for the conventional acetonitrile-based electrolyte of dye solar cells, based on ethyl cellulose as the gelator. The electrolyte becomes quasi-solid-state upon addition of an ethanolic solution of ethyl cellulose to the conventional acetonitrile-based liquid electrolyte. The photovoltaic conversion efficiency with the new gel electrolyte is only slightly lower than with the liquid electrolyte, e.g., 6.5 % for liquid electrolyte versus 5.9 % for gel electrolyte with 5.8 wt% added ethyl cellulose. Electrolyte gelation has small effect on the ionic diffusion coefficient of iodide, and the devices are remarkably stable for at least 550 h under irradiation... 

Quantitative structure-properties relationship (QSPR) has been applied to modelling and predicting the gas to acetone and gas to acetonitrile solvation enthalpies (ΔH Solv) of organic compounds using partial least squares (PLS), artificial neural network (ANN) and support vector machine (SVM) techniques. Two different datasets were assessed. The first one contained a set of gas to acetone enthalpy of solvation data of 68 different organic compounds while the second one included a total of 69 experimental data points for the enthalpy of solvation in acetonitrile. Genetic algorithm (GA) was used to search the descriptor space and select the descriptors responsible for property. After the... 

In this article, the synthesis, characterization, and cyclic voltammetry (CV) measurements are reported for ferrocene-terminated oligophenyleneimine (OPI_Fc) and ferrocene-terminated conjugation-broken oligophenyleneimine (CB-OPI_Fc) self-assembled monolayers (SAMs) in two different electrolytes, namely, 1-ethyl-3-methylimidazolium-bis (trifluoromethyl-sulfonyl) imide (EMITFSI) ionic liquid and tetrabutylammonium hexafluorophosphate (Bu4NPF6) in acetonitrile (0.1 M solution). The SAMs were synthesized on Au surfaces by the sequential imine condensation reactions. CV was used to investigate the kinetics of electron transfer (ET) to the ferrocene, and it was observed that the standard ET rate... 

Perovskite solar cells (PSCs) are one of the most promising emerging energy-conversion technologies because of their high power conversion efficiencies (PCEs) and potentially low fabrication cost. To improve PCE, it is necessary to develop PSCs with good interfacial engineering to reduce the trap states and carrier transport barriers present at the various interfaces of the PSCs' architecture. This work reports a facile method to improve the interface between the perovskite absorber layer and the hole transport layer (HTL) by adding a small amount of acetonitrile (ACN) in the Spiro-OMeTAD precursor solution. This small amount of ACN dissolves the surface of the perovskite layer, allowing the... 

An experimental study was conducted on the desulfurization of non-hydrotreated kerosene with oxidation followed by liquid-liquid extraction. Various types of solvents including acetonitrile, methanol, and ethanol have been examined in the extraction of oxidized sulfur-containing compounds of kerosene. The performance of these solvents has been carefully examined and compared. It was found that their performance follows the order: acetonitrile > methanol > ethanol. The effects of number of extraction stages and solvent to kerosene ratio on the desulfurization and recovery of kerosene have been investigated. The experimental results show that for all three solvents, solvent/kerosene ratio and... 

The desulfurization of non-hydrotreated gas oil using oxidation followed by liquid/liquid extraction has been studied. The solvent extraction of oxidized sulfur- containing compounds of gas oil was carried out by utilizing various types of solvents, including acetonitrile, methanol, and 96 vol.-% ethanol. The performance of these solvents was carefully evaluated and compared by considering both desulfurization and gas oil recovery. It was found that their performance follows the order: acetonitrile > methanol > 96 vol.-% ethanol. The influences of operating conditions, such as number of extraction stages and solvent to gas oil ratio, on the desulfurization and recovery of gas oil, were... 

In salting-out liquid-liquid extraction (SALLE) technique, water-miscible organic solvents are used for extraction of polar analytes from saline solutions. In this study, for the first time, a coupled 1-mL syringes system was utilized to perform a miniaturized SALLE method. Sulfanilamide antibiotic was extracted and determined via the developed method followed by high performance liquid chromatography-ultraviolet detection (HPLC-UV). The extraction process was carried out by rapid shooting of acetonitrile as extraction solvent (syringe B) into saline aqueous sample solution (syringe A), and then the shooting was repeated several times at a rate of 1 cycle s-1. Thereby, an extremely large... 

Different strategies are employed in designing strong and selective anion receptors but stereoelectronic effects have been largely ignored. In this work, the stereo configuration of a non-interacting ether is found to have a large impact of more than two orders of magnitude on the binding of a rigid diol with tetrabutylammonium chloride in acetonitrile-d3. A favorable carbon-oxygen dipole and an intramolecular C-H⋯OH hydrogen bond in an equatorially substituted ether is found to be energetically more important than a stabilizing hydrogen bond in the corresponding axially oriented alcohol. IR spectroscopy is also used to probe the structures of the bound complexes and several binding motifs... 

Natural and synthetic anion receptors are extensively employed, but the structures of their bound complexes are difficult to determine in the liquid phase. Infrared spectroscopy is used in this work to characterize the solution structures of bound anion receptors for the first time, and surprisingly only two of three hydroxyl groups of the neutral aliphatic triols are found to directly interact with Cl-. The binding constants of these triols with zero to three CF3 groups were measured in a polar environment, and KCD3CN(Cl-) = 1.1 × 106 M-1 for the tris(trifluoromethyl) derivative. This is a remarkably large value, and high selectivity with respect to interfering anions such as, Br-, NO3 -... 

In the present work, a simple, green, rapid, and catalyst-free procedure for the synthesis of benzamide derivatives by ring opening of azlactones with diamines such as ethylene diamine and 1,3-propylenediamine is described. The present method offers several advantages such as short reaction times, easy work-up, and mild reaction conditions in the absence of catalyst and any toxic solvent and material. In addition, the structure obtained by X-ray crystallography was compared with the theoretical results obtained by density functional theory using the B3LYP functional and cc-pVDZ basis sets  

A crude phenolic glycolipid extract from Mycobacterium bovis BCG was fractionated by column chromatography. A reversed-phase high performance liquid chromatography (HPLC) method with UV detection at 275nm was developed for simultaneous detection and separation of phenolic glycolipids (PGLs) in Mycobacterium bovis BCG. This analysis provides a good resolution. Different solvent systems and columns for HPLC were compared. A system composed of acetonitrile-water in the ratio of 0→80% at a flow rate of 0.8 mL/min and C8 analytical column were found to be optimum for HPLC of the phenolic glycolipids. This simple method is therefore appropriate to purify these compounds present in M. bovis extract... 

A new heterogeneous catalytic system was prepared by immobilization of tungstate ions on a cross-linked poly(ionic liquid) nanogel. The solid nanogel was easily synthesized by a surfactant-less method. The resulting catalyst was highly active in selective oxidation of sulfides to sulfoxides by H2O2. The oxidation reactions were successfully performed under solvent-free conditions affording high yields. The catalyst was recycled and reused for several reaction cycles without any significant loss of catalytic activity  

The synthesis of functionalized benzothiadiazine 1,1-dioxide derivatives was achieved through a novel three-component intramolecular C–H activation reaction of trichloroacetonitrile, benzenesulfonyl chloride, and various primary amines. This reaction was performed in the presence of catalytic copper(I) and L-proline as the ligand in tetrahydrofuran at room temperature. © 2018 Elsevier Ltd  

Oxygen evolution was observed upon mixing solid manganese(III) bidentate Schiff base complexes with aqueous solutions of cerium(IV) ammonium nitrate. However, oxygen evolution was not observed upon mixing solutions of the complexes (in acetonitrile) with Ce(IV). Electron-withdrawing substituents on the Schiff base ligands (NO2, Br) enhanced the reactivity of the manganese complexes toward oxygen evolution. Oxygen evolution was also affected by R groups on the ligands, in the order Me > Et Bz. © 2009 Springer Science+Business Media B.V  

A multi-residue method using gas chromatography coupled with flame ionisation detector has been developed for simultaneous determination of 10 pesticides in milk. The methodology involved a sample clean-up procedure using ‘quick, easy, cheap, effective, rugged and safe’ followed by a preconcentration step based on dispersive liquid–liquid microextraction. In this regard, acetonitrile was added to the milk sample with specific pH and ionic strength, and the mixture was rigorously shaken. The extracts were centrifuged; then, the organic phase (acetonitrile) was transferred to a test tube and was mixed with deionised water. The mixture was sonicated and chloroform was added as an acceptor phase... 

A multi-residue method using gas chromatography coupled with flame ionisation detector has been developed for simultaneous determination of 10 pesticides in milk. The methodology involved a sample clean-up procedure using ‘quick, easy, cheap, effective, rugged and safe’ followed by a preconcentration step based on dispersive liquid–liquid microextraction. In this regard, acetonitrile was added to the milk sample with specific pH and ionic strength, and the mixture was rigorously shaken. The extracts were centrifuged; then, the organic phase (acetonitrile) was transferred to a test tube and was mixed with deionised water. The mixture was sonicated and chloroform was added as an acceptor phase... 

In this research, inorganic copper thiocyanate (CuSCN) hole transport layer (HTL) was applied in conventional structure of perovskite solar cells (PSCs). Besides, mixed halides perovskite (Cs0.05(MA0.17FA0.83)0.95Pb(I0.83Br0.17)3) was utilized as the light absorbing layer and deposited on FTO/compact TiO2 substrates through a one-step coating method in ambient condition. The mentioned perovskite is more stable against high temperature, high irradiation and humidity compared to commonly applied MAPbI3 perovskite. Nevertheless, the CuSCN could not be well dissolved in usual dipropyl sulfide solution and should be deposited for several times to achieve suitable thickness, this could reduce the... 

Dilatometric measurements of excess molar volumes, VE and excess partial molar volumes, V̄iE have been made for binary mixtures of acetonitrile with 1,2-ethanediol, 1,2-propanediol, 1,2-butanediol, 1,2-pentanediol, and 1,2-hexanediol at 20°C over the entire composition range. VE for acetonitrile + 1,2-ethanediol and 1,2-propanediol mixtures are negative over the entire range of mole fractions and positive values are obtained for all remaining mixtures. The results are explained in terms of dissociation of the self-associated 1,2-alkanediol molecules and the formation of aggregates between unlike molecules through O-H. . . N≡C hydrogen bonding. From the experimental results, VE were...