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Kollam, India

Minitha R.,Sncollege | Sheena Mary Y.,Fatima Mata National College | Sheena Mary Y.,Kerala University | Varghese H.T.,Fatima Mata National College | And 5 more authors.
Journal of Molecular Structure | Year: 2011

FT-IR and FT-Raman spectra of 1H-2,2-dimethyl-3H-phenothiazin-4[10H]-one were recorded and analyzed. The vibrational wavenumbers were computed using HF/6-31G(d) and B3LYP/6-31G(d) basis. The data obtained from vibrational wavenumber calculations are used to assign vibrational bands obtained in infrared and Raman spectroscopies of the studied molecule. The first hyperpolarizability, infrared intensities and Raman activities are reported. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of non-linear optics. The geometrical parameters of the title compound are in agreement with XRD crystal structure data. The red shift of the N̄H stretching wavenumber in the infrared spectrum from the computed wavenumber indicates the weakening of the N̄H bond. © 2010 Elsevier B.V. All rights reserved. Source


Sharmila P.P.,Tkmmcollege | Tharayil N.J.,Sn College For Women
IOP Conference Series: Materials Science and Engineering | Year: 2015

Formation of hetro structures in nano structured materials is essential for their potential applications in nano electronics and photonic devices. As a promising candidate for blue and ultraviolet optoelectronic devices, ZnO has attracted much attention due to its wide band gap (3.37eV), large exciton binding energy (60meV), low epitaxial growth temperature and high oxidation resistance. In addition since the ionic radii of Mg+2+(0.57A0) and Zn2+(0.60A0) are quite close, they may alloy by replacing each other in the matrix. The doping of Mg in ZnO is done through a simple and novel technique from metal acetates using ammonium carbonate as precipitant. An organic capping agent (EDTA) is used prevent agglomeration and the addition is done under constant stirring. The carbonate precursor obtained is heated on the basis of TGA to obtain the metal nano composite. The effects of different parameters on particle size and morphology of (Zn-Mg)O nano composite is optimized by "one at a time" method. Under optimum conditions, spongy shaped, uniform and homogeneous structured (Zn-Mg)O nano composite powders with particle size few nano meters are obtained. The optical and structural properties of nano composite prepared by solution techniques are investigated by X-ray diffraction, UV-Visible spectroscopy, and PL, FTIR and electron microscopy techniques. The effect of annealing on the optical properties of this nano composite is also studied © Published under licence by IOP Publishing Ltd. Source


Fazil S.,Sn College For Women | Ravindran R.,Sn College For Women | Sarau Devi A.,SN College | Bijili B.K.,Sn College For Women
Journal of Molecular Structure | Year: 2012

Reaction of 4-aminoantipyrine with 2-mercaptobenzoic acid afforded a proton transfer derivative, 1-phenyl-2,3-dimethyl-5-oxo-1,2-dihydro-1H-pyrazol-4- ammonium 2[(2-carboxyphenyl) disulfanyl]benzoate, (HAAP+ṡ HTBA-), via the oxidation of 2-mercaptobenzoic acid into 2,2′-dithiobis(benzoic acid). The compound has been characterized on the basis of elemental analysis, IR, 1H and 13C NMR and mass spectral data. The infrared spectrum suggests the existence of an ion-pair compound, which is further established by the single crystal X-ray analysis to be an extended 1D supramolecular chain network extending along 'b' cell direction. The compound shows good thermal stability. © 2012 Elsevier B.V. All rights reserved. Source

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