Government Arts College for Women

Pudukkottai, India

Government Arts College for Women

Pudukkottai, India

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Santhakumari R.,Government Arts College for Women | Ramamurthi K.,Bharathidasan University | Yamin B.M.,National University of Malaysia | Bhagavannarayana G.,National Physical Laboratory India
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2010

Acetophenone thiosemicarbazone (APTSC) was synthesized. Solubility of APTSC was determined in ethanol and methanol at different temperatures. Single crystals were grown from ethanol by slow evaporation at room temperature. The grown crystal was subjected to FTIR, Laser-Raman and 1H NMR spectral analyses to confirm the synthesized compound. Thermal properties were investigated by thermogravimetric and differential thermal analyses. High-resolution X-ray diffractometry (HRXRD) was employed to evaluate the perfection of the grown crystal. The range and percentage of optical transmission was ascertained by recording UV-vis-NIR spectrum. The third order nonlinear optical parameters (nonlinear refractive index and nonlinear absorption coefficient) were derived by the Z-scan technique. © 2010 Elsevier B.V. All rights reserved.


Balachandran V.,Arignar Anna Government Arts College | Mahalakshmi G.,Karpagam University | Mahalakshmi G.,Salem College | Lakshmi A.,Hh The Rajahs College | Janaki A.,Government Arts College for Women
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2012

The experimental FT-IR (4000-400 cm-1) and FT-Raman (3500-100 cm-1) spectra of 4-Methylmorpholine were recorded. The observed bands were interpreted with the aid of normal coordinate analysis and force field calculations based on density functional theory (DFT) using B3LYP functional theory (DFT) using B3LYP functional with 6-311+G and 6-3++G basis sets. The complete assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. The molecular structure and vibrational frequencies, infrared intensities and Raman scattering actives have been calculated frequency showed the best agreement with experimental results. The formation of the hydrogen bond was investigated using NBO calculations. The calculated HOMO and LUMO energies show that charge transfer occur within the molecule. The dipolemoment (μ) and polarizability (α), anisotropy polarizability (Δα) and first hyperpolarizability (βtotal) of the molecule have been reported. © 2012 Elsevier B.V. All rights reserved.


Dheivamalar S.,Government Arts College for Women | Silambarasan V.,University of Madras
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2012

This work deals with the vibrational spectroscopy of 2-amino-4-methyl benzonitrile (AMB) by means of quantum chemical calculations. The mid and far FTIR and FT-Raman spectra were measured in the condensed state. Hartree-Fock (HF/6-31G) and density functional theory (DFT, B3LYP/6-31G) ab initio methods have been performed to interpret the observed vibrational spectra. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on scaled density functional force field. The results of the calculations were applied to simulated infrared and Raman spectra of the title compound, which showed excellent agreement with the observed spectra. © 2012 Elsevier B.V. All rights reserved.


Sambath K.,Sri Krishna Arts and Science College | Saroja M.,Erode Arts and Science College Autonomous | Venkatachalam M.,Erode Arts and Science College Autonomous | Rajendran K.,Government Arts College for Women | Muthukumarasamy N.,Coimbatore Institute of Technology
Journal of Materials Science: Materials in Electronics | Year: 2012

ZnO nanostructures have been synthesized in a controlled manner by varying the pH of the precursor solution using hydrothermal technique. The morphological changes of the prepared ZnO nanostructures have been investigated in the range of pH 5-10. Radial hexagonal rod-like shape is formed at lower pH values of 5 and 6 whereas, flower-like shape is obtained for higher pH values of 9 and 10. Flake-like structure is observed at moderate pH of 8. The prepared ZnO nanostructures have been characterized using X-ray diffraction technique (XRD), energy dispersive X-ray analysis, scanning electron microscope and FTIR spectroscopy. XRD results show that the prepared ZnO nanostructures exhibit hexagonal wurtzite structure. The growth mechanism suggests that the supersaturation of the precursor results in various nucleation habits, which induce the formation of ZnO nanostructures with different morphologies. UV-Vis spectroscopy and photoluminescence were applied to study the optical properties. The photoluminescence spectrum demonstrated two emission bands, a near band edge emission in the UV region and a strong deep band emission in the visible region. The change in pH from 5 to 10 results in band gap variations of 3.47-3.97 eV and blue-shift in the peak emission of visible PL from 560 to 460 nm. © 2011 Springer Science+Business Media, LLC.


Santhakumari R.,Government Arts College for Women | Ramamurthi K.,Bharathidasan University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

Single crystals of the organic NLO material, benzaldehyde thiosemicarbazone (BTSC) monohydrate, were grown by slow evaporation method. Solubility of BTSC monohydrate was determined in ethanol at different temperatures. The grown crystals were characterized by single crystal X-ray diffraction analysis to determine the cell parameters and by FT-IR technique to study the presence of the functional groups. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. UV-vis-NIR spectrum shows excellent transmission in the region of 200-1100 nm. Theoretical calculations were carried out to determine the linear optical constants such as extinction coefficient and refractive index. Further the optical nonlinearities of BTSC have been investigated by Z-scan technique with He-Ne laser radiation of wavelength 632.8 nm. Mechanical properties of the grown crystal were studied using Vickers microhardness tester. Second harmonic generation efficiency of the powdered BTSC monohydrate was tested using Nd:YAG laser and it is found to be ∼5.3 times that of potassium dihydrogen orthophosphate. © 2010 Elsevier B.V. All rights reserved.


Balachandran V.,Arignar Anna Government Arts College | Lakshmi A.,Hh The Rajahs College | Janaki A.,Government Arts College for Women
Journal of Molecular Structure | Year: 2011

The Fourier transform Raman and Fourier transform infrared spectra of 2-mercapto-1-methylimidazole have been recorded. Ab initio and density functional computations of the vibrational spectrum, the molecular geometry, highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps were studied. On the basis of the comparison between calculated and experimental results and the comparison with related molecules, assignments of the fundamental vibrational modes are examined. The observed and simulated spectra were found to be well comparable. The molecular stability and bond strength were investigated by applying the Natural Bond Orbital analysis (NBO). The other molecular properties like Mulliken population analysis, thermodynamic functions and polarizabilities of the title compound have been reported. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with electrostatic potential (ESP). © 2011 Elsevier B.V. All rights reserved.


Lakshmi A.,Hh The Rajahs College | Balachandran V.,Arignar Anna Government Arts College | Janaki A.,Government Arts College for Women
Journal of Molecular Structure | Year: 2011

Comparative studies of the Raman and infrared spectra, the geometry, frequency and intensity of the vibrational bands of 5,7-dibromo-8- hydroxyquinoline (DBHQ) and 5,7-dichloro-8-hydroxyquinoline (DCHQ) were obtained by using Density Functional Theory calculations (DFT) with B3LYP functional and 6-311++G basis set. The effects of bromine and chlorine substituents on the vibrational frequencies of 8-hydroxyquinoline have been investigated. The assignments have been proposed with aid of the results of normal coordinate analysis. Coupling of vibrations have been determined by calculating potential energy distributions (PEDs). The molecular stability and bond strength was investigated by applying the Natural Bond Orbital analysis (NBO). The other molecular properties like Mulliken population analysis, thermodynamic functions and polarizabilities of the title compounds have been reported. The calculated HOMO and LUMO energies show that charge transfer occur in the molecules. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). © 2011 Elsevier B.V. All rights reserved.


Kanthan M.R.,Bharathiar University | Sujatha S.N.,Government Arts College for Women
2015 IEEE International Conference on Computational Intelligence and Computing Research, ICCIC 2015 | Year: 2015

A novel hybrid algorithm has been proposed in this paper to detect raindrops, remove and then restore the image back ground in a single image. This new hybrid algorithm is framed based on K-Means clustering and Median filtering for the fast retrieval of Rain droplets from the single image. K-Means clustering algorithm is an efficient algorithm for image clustering. The algorithm proposed in this paper has different approach from other established numerical schemes. The hybrid algorithm is framed in order to identify the rain droplets using clustering and shape modeling of raindrops. The proposed system is fast compared with alternate droplet identification schemes. The process allows rapid evaluation of the contour of the raindrops and convergence to its final resultant with very little iteration. The experiments demonstrate the efficiency and accuracy of the method. © 2015 IEEE.


Bhanumathi M.,Government Arts College for Women | Kavitha M.,Government Arts College for Women
Procedia Computer Science | Year: 2014

Let G be a simple (p, q) graph with vertex set V(G) and edge set E(G). BG,¯NINC,K¯q (G) is a graph with vertex set V(G) ∪ E(G) and two vertices are adjacent if and only if they correspond to two non adjacent vertices of G, a vertex and an edge not incident to it in G For simplicity, denote this graph by BG(G), Boolean graph of G In this paper, some properties of BG(G) are studied. © 2015 The Authors. Published by Elsevier B.V.


Bhanumathi M.,Government Arts College for Women | Flavia J.J.,Government Arts College for Women
Procedia Computer Science | Year: 2014

The minimum eccentric dominating graph MmDE(G) of a graph G is defined to be the intersection graph on the minimum eccentric dominating sets of G. In this paper minimum eccentric dominating graph of some families of graphs are studied. © 2015 The Authors. Published by Elsevier B.V.

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