Vol. 2 & Issue 3 ; Section A : Chemical Sciences

Date : May. to Jul.2012


Theoretical evaluation on the efficiencies of some Flavonoids as corrosion inhibitors on Copper

P.Udhayakala, T.V. Rajendiran and S. Gunasekaran

  • Abstract

    Corrosion inhibition performance of three flavonoids , ie., apigenin (C1), luteolin-3’-methyl ether (C2) and quercetin-3,3’-dimethylether (C3) on copper was evaluated by density functional theory (DFT) at the B3LYP/6-31G(d,p) level. Quantum chemical parameters most relevant to their potential action as corrosion inhibitors, such as EHOMO, ELUMO, the energy gap(ΔE), hardness(η), Softness(S), dipole moment(μ), electron affinity(EA), ionization potential(IE), the absolute electronegativity (χ) , the fraction of electron transferred (ΔN), electrophilicity index(ω) and the back-donation(ΔE Back-donation) have been calculated. The local predict both the reactive centres and to know the possible sites of nucleophilic and electrophilic attacks. The theoretical conclusions were found to be consistent with the experimental data reported.

Eco-friendly Synthetic Route for New Pyrazolines Bearing Sulfonamido and Quinolino Pharmacophore in PEG-400

Vasant B. Jagrut, Dinesh L. Lingampalle, Rajendra P. Phase, Wamanrao N. Jadhav

  • Abstract

    A series of new 3-(4'-tosylaminophenyl)-5-(2'-chloro-substitutedquinolin-3-yl)-4,5-dihydro pyrazolines (2) have been prepared by carrying cyclocondensation of 3-(2-chloro-substitutedquinolin-3-yl)-1-(4- (tosylamino)phenyl)prop-2-en-1-ones (1) with hydrazine using grnner reaction media, polyethylene glycol (PEG-400) at room temperature.

Synthesis, Characterization and anti-HIV activity of 3-methyl-1h-pyrano [2’, 3’:4, 5] pyrano [3, 2-c] chromene-1, 5, 12-trione

Denish C. Karia, Hetal K. Pandya, Nilesh K. Godvani and Anamik K. Shah

  • Abstract

    Substituted 4-hydroxy -2H,5H pyrano (3,2-C) chromene – 2,5 –dione(I) have been prepared by 4-Hydroxy coumarin when treated with phosphorus oxychloride and zinc chloride. (I) on reaction with acetic acid and phosphorous oxychlorideto give 3- acetyl 4-hydroxy -2H,5H pyrano (3,2-C) chromene – 2,5 – dione(II). Which on heating with ethyl acetate and pulverized sodium metal for several hours afforded 4-hydroxy-3-(3-oxobutanoyl)2H,5H pyrano(3,2- c)chromene-2,5-dione (III) . (III)when treated with ethanol and hydrochloric acid afforded to give 3-Methyl-1H-Pyrano[2’,3’:4,5]Pyrano[3,2-c]chromene-1,5,12-trione(IV).Several of similar derivatives were also synthesized. The structures of the synthesized compounds have been assigned on the basis of elemental analyses, IR, NMR and mass spectral studies.

Synthesis and Investigation of Antibacterial activity of Some Schiff bases

Shipra Baluja and Sumitra Chanda

  • Abstract

    Eight Schiff bases were synthesized from 4-amino benzoic acid and were characterized by IR and NMR spectral analysis. In all 8 compounds were synthesized viz. (1) 4-[(4-Methoxy-benzylidene)-imino]- benzoic acid, (2) 4-(Benzylidene-imino)-benzoic acid, (3) 4-[(2-chloro-benzylidene)-imino]-benzoic acid, (4) 4-[(Furan-2-ylmethylene)-imino]-benzoic acid, (5) 4-(3-Phenyl-allylideneimino)-benzoic acid, (6) 4- [(2-Hydroxy-benzylidene)-imino] -benzoic acid, (7) 4-[(4-Hydroxy-3-methoxy-benzylidene)-imino]- benzoic acid and (8) 4-[(3-Nitro-benzylidene)-imino]-benzoic acid. Antibacterial activities of these synthesized Schiff bases have been tested against six bacterial strains. The studied bacterial strains are S. aureus ATCC 25923, B. cereus ATCC 11778, P. mirabilis NCIM 2241, P. aeruginosa ATCC 27853, S. typhimurium ATCC 23564 and A. fecalis ATCC 8750. The antibacterial activity was done by Agar Ditch method. The solvents used for studying antibacterial activity were 1, 4-dioxan (non-polar) and DMF (polar, Dimethylformamide). A differential effect of the compounds was found in the bacterial strains investigated and the solvents used, suggesting once again that the antibacterial activity is dependent on the molecular structure of the compound, solvent used and the bacterial strains under consideration

ZnII, CdII and HgII complexes with N-(morpholinomethyl) phthalimide as a new Mannich base ligand: Synthesis, Characterization and Antimicrobial studies

L. Muruganandam, K.Balasubramanian, M. Ramesh, and A. Sebastiyan

  • Abstract

    The new Mannich base N-(morpholinomethyl)phthalimide(MMP) was prepared by the Mannich synthetic route of morpholine, formaldehyde and Phthalimide. The d10 transition metal complexes with this ligand were synthesized and have been characterized on the basis of elemental analysis, molar conductance, UV-Visible, IR and NMR spectral studies. The bidentate chelation of MMP, bonding through carbonyl oxygen of imide moiety and CNC of morpholine ring is suggested. Based on the IR and 1H NMR studies octahedral geometry is assigned for all the complexes. The ligand and complexes have been screened for their antibacterial and antifungal activities.

Hydrotropes as effective reaction media for the synthesis of metoclopramide hydrochloride

Jagannath Kadam, Ajay Patil, Vijay Gangan, Manohar Lokhande and Vijay Bhawe

  • Abstract

    The paper describes the synthesis of Metoclopramide.HCl (have therapeutic use as Antiemetic drug used to combat nausea and vomiting in chemotherapy and post operative patients) using four different hydrotropes. The effect of various hydrotropes on yield, rate constant and activation energy at various temperatures and concentrations were studied

Ion-Solvent and Ion-Ion Interactions of Toluene-4-Sulfonic Acid in Mixed Media

S. D. Deosarkar and M. L. Narwade

  • Abstract

    Densities (r) and speeds of sound (u) of ternary mixtures of toluene-4-sulfonic acid in 70 % (v/v) acetonewater and 70% (v/v) ethanol-water mixtures for different concentrations of sulfonic acid were measured at 300 K. Apparent molar volume ((fv)) and adiabatic compressibility (Ks) of solutions were determined from the measured densities and sound velocities of solutions and solvent mixtures. The limiting infinite dilution apparent molar volume ((fv)) was evaluated from the Masson’s relation. Data has been discussed in terms of ion-ion and ion-solvent interactions

Synthesis, characterization and Thermodynamic studies of some organometallic complexes of bidentate Schiff- bases having N- and S- donor system

Basavaraj M. Kalshetty, T.P.Giraddi, R.T.Pattar, Ramesh.S. Gani and M.B.Kalashetti

  • Abstract

    The coordination complexes of metal ions like Cu(II), Zn(II), Ni(II), Co(II), Cd(II) with the Schiff base ligands LH2 have been synthesized at pH= 3-4, pH= 8-9 and pH= 10-11. The synthesized complexes have been characterized on the basis of elemental analysis, molar mass, spectroscopic studies including IR, NMR-spectra and thermodynamic parameters. Hence, the study reveals that the parent compounds A.B.C involved the donor groups –COOH, -OH, SH, and Nitrogen atom. The ligand LH2 in metal complexes (Scheme 3 and Scheme 7) behaves as a monobasic bidantate OO- donor at pH=3-4 , suggesting the non-involvement of Sulphur and Nitrogen atoms present in 4-Amino-3-ethyl-5-mercapto-Triazole (AEMT). At pH=8-9 the ligand LH2 behaves as a dibasic tridentate OOS- donor (Scheme 4) suggesting the non-involvement of Nitrogen atom of (AEMT) in the metal complex compounds, sulphur makes coordination with metal ion first rather than Nitrogen atom. Because, of its electronic configuration. At pH= 8-9 the ligand with Copper metal ion also behaves as a dibasic tridentate OOS- donor, suggesting non-involvement of Nitrogen atom (Scheme 5) in the complex compound. The ligand LH2 behaves as dibasic tetra dentate OOSN- donor at pH=10-11, suggesting the coordination of (AEMT) Nitrogen atom and sulphur atom to the metal ions in the complex compounds.

Synthesis of advance material thiophene-formaldehyde for high technology polymers

M. N. Narule

  • Abstract

    The present manuscript reported the synthesis of double alternate conjugation of Thiophene- Formaldehyde. The reaction is catalyzed by strong acids, weak acids, and organic acids and also by Lewis acids. Spectroscopic data revels that long chain polymer hold together not only by C-C bond, but also the electrons are delocalized in conjugation showing colored polymers.

Corrosion inhibition by Allium sativum (garlic) extract

K. Rajam, S. Rajendran, M. Manivannan and R. Saranya

  • Abstract

    The inhibition efficiency (IE) of an aqueous extract of garlic (GE) in controlling corrosion of carbon steel in well water in the absence and presence of Zn2+ has been evaluated by mass loss method. The formulation consisting of 2 mL GE and 25 ppm Zn2+ offers 65% IE to carbon steel immersed in well water. Addition of malic acid (MA) increases IE of the GE – Zn2+ system. The IE of GE-Zn2+ and GEZn2+- MA system decreases with increase in immersion period (IP) and it increases with increase in pH from 3 to 11. Polarization study reveals that this formulation controls the anodic reaction predominantly. FTIR spectra reveal that the protective film consists of Fe2+- allicin complex and Zn (OH)2. The nature of the protective film formed on the metal surface has been characterized by Scanning Electron Microscopy (SEM).

Novel s-triazine–epoxy resin curing system and their material applications

J.A. Chaudhari and R.P. Patel

  • Abstract

    Novel 2-(4-Phenyl-1-Piperazinylo)-4,6-bisarylhydrazino-1,3,5-triazine(3a-f) were synthesized by reaction of 2-(4-Phenyl-1-Piperazinylo)-4,6-dichloro -1,3,5-triazine with various phenyl hydrazine derivatives. All the synthesized (3a-f) derivatives were characterized by elemental analysis and IR spectral studies. the synthesized compounds were evaluated for antimicrobial activity against different microorganisms. All these derivatives were employed as epoxy resin curing agent. Thus the curing of commercial epoxy resin namely diglycidyl ether of bisphenol-F (DGEBF) was monitored on Differential Scanning Calorimeter (DSC) and Thermo gravimetric analysis (TGA). The glass-fibre reinforced composites based on DGEBF-(3a-f) systems were prepared and characterized by physical and mechanical methods.

Adsorption Equilibrium and Kinetics of 4-Chlorophenol: A Comparative Study

A.S.Ghatbandhe, H. G.Jahagirdar and M.K.N.Yenkie

  • Abstract

    Adsorption equilibrium, kinetics of 4-chlorophenol (4-CP) one of the chlorophenols (CPs) onto bituminous coal based Filtrasorb-400 grade granular activated carbon and polymeric adsorbents were studied in aqueous solution in a batch system. Langmuir isotherm models were applied to experimental equilibrium data of 4-CP adsorption. Equilibrium data fitted very well to the Langmuir equilibrium models of 4-CP. Adsorbent monolayer capacity ‘Qo’ Langmuir constant b and adsorption rate constants ka were evaluated. Adsorption using GAC is very rapid in the first hour of contact where 60 - 70 % of the adsorbate is removed by GAC followed by a slow approach to equilibrium, whereas in case of polymeric adsorbents 50-60 % of the adsorbate is removed in the first 30 min which is then followed by a slow approach to equilibrium. Comparative adsorption capacity of different adsorbents used is observed to be in following order F 400 > XAD-4 > XAD-1180 > XAD-7

Estimation of m-Phenylene Diamine using sodium nitroprusside by photochemical method

Hardik Bhatt, Gayatri Prasad, Vaibhav Bhatt and Ajay Sharma

  • Abstract

    Determination of m-Phenylene Diamine using a newer, faster, inexpensive and convenient quantitative method by the photochemical exchange reaction of sodium nitroprusside has been investigated. Sodium nitroprusside is a photolabile complex and it undergoes photochemical ligand exchange reactions rapidly. Some recent efforts have been made to utilise such reactions for the estimation of some nitrogen containing anions and electron rich organic molecules. The progress of the reaction is observed spectrophotometrically. The effects of different parameters like pH, change of concentration of sodium nitroprusside, concentration of ligands, light intensity etc. on percentage error was investigated. The efforts were made to minimise the percentage error and some optimum conditions were obtained. Such reaction can be used for the determination of m-phenylene diamine in the range of millimoles to micromoles, hence it is important to know whether such estimations can be done successfully and that to with the desired accuracy.

Synthesis of Rabeprazole–Na for Hydrotropes as a Reaction Media

Jagannath J Kadam, Ajay Patil, K.George A , Vijay Bhawe and Manohar V Lokhande

  • Abstract

    The paper describes the synthesis of Rabeprazole–Na. It is used as an Antiulcerative agent. The molecules in the lattice are held together by intermolecular hydrogen bonds between the NH group of benzimidazole and sulfinyl oxygen atom. The synthesis of Rabeprazole–Na. was carried out using four different hydrotropes. The effect of various hydrotropes on yield, rate constant and activation energy at various temperatures and concentrations are studied.

Thermal behavior of Rubidium soaps

Satya Pal Singh Saroha, Krishna N. Mehrotra

  • Abstract

    Rubidium Carboxylates, M (CXHYCOO) where M is metal and X = 9 ,11 and 17 and Y = 19, 23 and 35 were prepared by metathesis and were characterized. Fundamental characteristics like thermal properties of these carboxylates are studied and thermodynamic parameters associated with decomposition are calculated like thermal kinetic parameters, activated energy of decomposition, ΔE, enthalpy of decomposition, ΔH, entropy of decomposition, ΔS, and free energy of decomposition, ΔG.The value of rate constant for the soap caprate is found to be lower than stearate or laurate soaps. The energy of activation, ΔE is the measure of the stability of the soaps. The values of entropy ΔS, and that of free energy of decomposition reflect for the non spontaneous reaction .The soaps are quite stable for long range of temperature

Kinetic and Mechanistic Studies in the Oxidative Regeneration of Carbonyl Compounds from Oximes by Imidazolium Fluorochromate

Amit Daiyaa, Shweta Vyasa, Anita Kotharia, P. Mishraa, S. Agarwalb and Vinita Sharma

  • Abstract

    The oxidative deoximination of several aldo- and keto-oximes by imidazolium fluorochromate (IFC), in dimethylsulphoxide (DMSO), exhibited a first order dependence on IFC. A Michaelis-Menten type kinetics was observed with respect to oximes. The oxidation of ketoximes is slower than that of aldoximes. The rates of oxidation of aldoximes correlated well in terms of Pavelich-Taft dual substituent-parameter equation. The low positive value of polar reaction constant indicated a nucleophilic attack by a chromate-oxygen on the carbon. The reaction is subject to steric hindrance by the alkyl groups. The reaction of acetaldoxime has been studied in nineteen different organic solvents. The solvent effect has been analysed by multiparametric equations. A mechanism involving the formation of a cyclic intermediate, in the rate-determining step is suggested.

Oxidative Kinetics of Chalcones by Chloramine-T

S. Parimala Vaijayanthi and N. Mathiyalagan

  • Abstract

    The kinetic study of oxidation of chalcones by chloramine-T (sodium N-chloro paratoluenesulphonamide  CAT) has been studied in aqueous acetic acid in the presence of perchloric acid. The products of oxidation are the corresponding substituted benzoic acid and phenyl acetaldehyde. The reaction is carried out under pseudo–first order condition. The reaction is first order with respect to [CAT]. The order with respect to [chalcones] is zero. The decrease in dielectric constant of the medium increases the rate of the reaction. The effect of various parameters like HClO4, NaCl, and NaClO4 and ptoluenesulphonamide is also studied. By studying the effect of temperature on the reaction rate, the Arrhenius and thermodynamic activation parameters have been calculated. A mechanism consistent with observed kinetics is proposed.

Investigation of the Effect of Gauging Solution Density on Setting Characteristics and Soundness of Magnesium Oxychloride Cement (MOC)

R. N. Yadav and Priyanka Gupta

  • Abstract

    Magnesium oxychloride cement (MOC) has versatile cementing characteristics. The effect of density of magnesium chloride solution used for gauging magnesium oxide on the setting characteristics and soundness of magnesium oxychloride cement has been investigated. Standard consistency and setting times of cement pastes and Soundness of cement pastes has been investigated. It was observed that Setting time increases with density of gauging solution and Soundness increases with density of gauging solution within experimental limits.

Intermolecular Inter-ligand Interaction in Mixed Ligand Complexes of Lanthanoids (lII) Involving CDTA and Some O-N donor Amino Acids

Vivek Tiwari and Rashmi Singhai

  • Abstract

    The formnation constant studies on binary (log K) and mixed ligand complexes (log K) and stability quantifying parameters (log k and ΔΔ log k) to examine the extra-stabilization due to inter-ligand interaction in Pr (lll) and Nd(lII) complexes involving cyclohexanediaminetetraaceticacid (CDTA ) as primary ligand and a-alanine (a-ala), valine (val) or leucine (leu) as secondary ligands have been undertaken to evaluate the possible occurrence of intramolecular inter-ligand interaction. Stability quantifying parameters (Δ log k and ΔΔ log k) indicates significant inter-ligand interaction.

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