• R P Singh

      Articles written in Journal of Chemical Sciences

    • Physico-chemical studies on the photostabilization of poly(1-butene) film

      R P Singh R Chandra A Syamal

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      Thin films of poly(1-butene) with and withouto-phenanthroline bis(1,3-diphenyl triazine-1-oxide)-cobal(II) [I] in the temperature range of 233–333° K have been degraded in air from a UV light of 253.7 nm. The changes in weight average molecular weights, degree of degradation, quantum yields, enthalpy and free energy of activation, and carbonyl and hydroperoxide contents, were followed as a function of the time of irradiation. The inhibition effect ofI is discussed on the basis of the luminescence and UV spectral data. The chelateI behaves both as a thermal and UV stabilizer due to a combination of different kinds of activity in the same molecule.

    • Synthesis and characterization of Ru(III), Rh(III), Pt(IV) and Ir(III) thiosemicarbazone complexes

      K Mukkanti R P Singh

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      Ru(III), Rh(III), Pt(IV) and Ir(III) complexes of 2-furfural thiosemicarbazone as ligand have been synthesised. These complexes have the composition [M(ligand)2X2]X (M = Ru(III) Rh(III) and Ir(III) X = Cl and Br) and [Pt(ligand)2 X2] X2 (X = Cl, Br and 1/2SO4). The deprotonated ligand forms the complexes of the formulae M(ligand-H)3 and Pt(ligand-H)3Cl. All these complexes have been characterized by elemental analysis, magnetic measurements, electronic and infrared spectral studies. All the complexes are six-coordinate octahedral.

    • Quantum chemical investigation of the reaction of O(${}^3P_2$) with certain hydrocarbon radicals

      Ashutosh Gupta R P Singh V B Singh Brijesh Kumar Mishra N Sathyamurthy

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      The reaction of ground-state atomic oxygen [O(${}^3P_2$)] with methyl, ethyl, 𝑛-propyl and isopropyl radicals has been studied using the density functional method and the complete basis set model. The energies of the reactants, products, reaction intermediates and various transition states as well as the reaction enthalpies have been computed. The possible product channels and the reaction pathways are identified in each case. In the case of methyl radical the minimum energy reaction pathway leads to the products CO + H2 + H. In the case of ethyl radical the most facile pathway leads to the products, methanal + CH3 radical. For propyl radical (𝑛- and iso-), the minimum energy reaction pathway would lead to the channel containing ethanal + methyl radical.

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