Sangeeta Sahu

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In this paper we present structural and vibrational study of three vinylpyrrole derivatives: 2-Cyano-3-(1H-pyrrol-2-yl)-acrylamide (CPA), 1-(1H-Pyrrol-2-yl)-Pent-1-en-3-one (PP) and 1-(1H-Pyrrol-2-yl)-but-1-en-3-one (PB), using ab initio, DFT and experimental approaches. The quantum chemical calculation have been performed on B3LYP method and 6-311+G(d,p)(More)
In this work, detailed vibrational spectral analysis of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (EHCHEDPC) molecule has been carried out using FT-IR spectroscopy and potential energy distribution (PED). Theoretical calculations were performed by ab initio RHF and density functional theory (DFT) method,(More)
This paper deals with the synthesis and characterization of macrocyclic ligand and its complex compound. Template condensation of chlorocarbons such as 1,1,2,2-tetrachloroethane with 1,3-diaminopropane in presence of nickel (II) or copper (II) yielded the corresponding metal complexes such as 3,7,10,14,15,19,20,24octaazatricyclotetracosane (OCTC). The(More)
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