http://nopr.niscair.res.in/handle/123456789/2068 Search the Channel search http://nopr.niscair.res.in/simple-search http://nopr.niscair.res.in/handle/123456789/2089 Title: Synthesis, structural characterization of new macrocyclic Schiff base derived from 1,6-bis(2-formylphenyl)hexane and 2,6-diaminopyridine and its metal complexes <br/> <br/>Authors: İlhan, Salih; Temel, Hamdi; Sunkur, Murat; Teğin, İbrahim <br/> <br/>Abstract: A macrocyclic ligand has been synthesized by reaction of 2,6-diaminopyridine and 1,6-bis(2-formylphenyl)hexane. Its complexes with Cu(II), Ni(II), Pb(II), Zn(II), Cd(II) and La(III) have been synthesized by the reaction of ligand and Cu(ClO₄)₂.6H₂O, Ni(ClO₄)₂.6H₂O, Pb(ClO₄)₂.6H₂O, Zn(ClO₄)₂.6H₂O, Cd(ClO₄)₂.6H₂O and La(ClO₄)₃.6H₂O, respectively. The ligand and its metal complexes have been characterized. All complexes are diamagnetic while the Cu(II) complex is binuclear. <br/> <br/>Page(s): 560-564 http://nopr.niscair.res.in/handle/123456789/2088 Title: Thermodynamics and kinetic studies of insertion reaction between CCl and NH₃ <br/> <br/>Authors: Si, Weijiang; Zhuo, Shuping <br/> <br/>Abstract: Based on the quantum theoretical study of the insertion reaction of CCl with NH₃, the statistical thermodynamics and Eyring transition state theory with Wigner correction are used to compute the thermodynamic functions, the equilibrium constants, A factors and the rate constants in the temperature range 200-2000K. Results show that the reaction is thermodynamically dominant at low temperatures and kinetically favoured at higher temperatures. <br/> <br/>Page(s): 556-559 http://nopr.niscair.res.in/handle/123456789/2087 Title: Non-ionic micellar inhibition on the rate of oxidation of l-histidine by alkaline hexacyanoferrate(III) <br/> <br/>Authors: Shukla, Ratna; Upadhyay, Santosh K <br/> <br/>Abstract: The effect of non-ionic surfactants, viz., triton X-100, tween-80 and brij-35 on the rate of oxidation of l-histidine by hexacyanoferrate(III) in alkaline medium has been studied spectrophotometrically in the temperature range 35-55ºC. The rate of oxidation is strongly inhibited in presence of non-ionic micelle. The reaction follows a complex kinetics showing a first order dependence of rate with respect to both, alkali and l-histidine. During a particular kinetic run, a second-order dependence of rate with respect to hexacyanoferrate(III) is observed while an increase in initial [hexacyanoferrate(III)] or an addition of hexacyanoferrate(II) in the reaction mixture results in a decrease in the observed rate constant. A suitable mechanism has been proposed and the kinetic data accounted for by the association/distribution of the substrate in micellar and aqueous pseudo-phase. The binding parameters have also been evaluated. <br/> <br/>Page(s): 551-555 http://nopr.niscair.res.in/handle/123456789/2086 Title: The basicities of a series of substituted acetophenones in the ground state: A DFT study <br/> <br/>Authors: Senapati, U; De, D; De, B R <br/> <br/>Abstract: A detailed study of the basicities of a series of p-substituted acetophenones(aromatic conjugated system) and their O-protonated counterparts has been performed using density functional theory (Becke, Lee, Yang and Parr [B3LYP]) method and 6-311G(d,p) basis sets with complete geometry optimization. The gas phase O-protonation is observed to be exothermic and the local stereochemical disposition of the proton is found to be almost the same in each case. The presence of p-substituent is seen to cause very little change of the protonation energies, relative to the unsubstituted acetophenones. Computed protonation energies are sought to be correlated with a number of computed system parameters such as the net charge on the carbonyl oxygen of the unprotonated bases, charge on the carbonyl oxygen and charge on the proton of the protonated bases. The overall basicity is explained by distant atom contribution in addition to the contribution from the carbonyl group. <br/> <br/>Page(s): 548-550