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Govindarajan M.,Government of Puducherry | Ganasan K.,Tbml College | Periandy S.,Tagore Arts College Women | Karabacak M.,Afyon Kocatepe University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2010

In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100-4000 cm-1 and 50-4000 cm-1, respectively, for the title molecules. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on Hartee Fock (HF) and density functional theory (DFT) method and different basis sets combination. The complete vibrational assignments of wave numbers were made on the basis of potential energy distribution (PED). The scaled B3LYP/6-311++G(d,p) results show the best agreement with the experimental values over the other methods. The effects due to the substitutions of methyl group and halogen bond were investigated. The results of the calculations were applied to simulated spectra of the title compounds, which show excellent agreement with observed spectra. © 2010 Elsevier B.V. All rights reserved.


Govindarajan M.,Avvaiyar Government College | Periandy S.,Tagore Arts College | Ganesan K.,TBML College
E-Journal of Chemistry | Year: 2010

The structural and vibrational property of 1-methoxynaphthalene has been studied. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using B3LYP/6-31G (d, p) basis set and was scaled using various scale factors, which yielded a good agreement between observed and calculated frequencies. The vibrational spectra were interpreted with the aid of normal coordinate analysis. The results of the calculations were applied to simulated spectra of the title compound, which shows excellent agreement with observed spectra. The calculated force constants in vibrational internal coordinates are in closely coincides with the experimentally observed force constants.


Govindarajan M.,Avvaiyar Government College Women | Ganasan K.,Tbml College | Periandy S.,Tagore Arts College Women | Mohan S.,PRIST University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2010

FT-IR and FT-Raman spectra of α-acetonaphthone have been recorded and analyzed. The geometry, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) B3PW91/6-311G method and also a comparative studies between different levels and various basis sets combination. The scaled B3PW91/6-11G results are best, even though LSDA/6-311G wavenumbers are well in agreement before scaling. The complete vibrational assignments of wavenumbers are made on the basis of potential energy distribution (PED). The effects due to the substitutions of methyl group and carbon-oxygen bond are investigated. The results of the calculations are applied to simulated spectra of the title compound, which shows excellent agreement with observed spectra. Crown Copyright © 2010.


Debaje S.,Indian Institute of Tropical Meteorology | Johnson Jeyakumar S.,TBML College | Rajendran M.,Annamalai University
International Journal of Remote Sensing | Year: 2011

Measurements of surface ozone (O3) and nitrogen dioxide (NO2) were studied from December 2004 to February 2005, covering the giant tsunami event on 26 December 2004 at Tranquebar (11° N, 79.9° E, 9 m) over the west coast of the Bay of Bengal, India. An unusual maximum O3 concentration of 28 parts per billion by volume (ppbv) was observed in the morning and a minimum (16 ppbv) in the evening, indicating that pronounced chemical loss of O3 occurred in the daytime after the tsunami over this coastal region. An increase in NO2 concentration from 5.6 ppbv before the tsunami to 10.5 ppbv after the tsunami was observed in the daytime. The observed unusual diurnal changes in O3 were not due to mass transport processes as the five-day back trajectories of air parcels transport before and after the tsunami remained unchanged. Similarly, meteorological and micrometeorological parameters were found to be normal before and after the tsunami. The unusual low O3 level during the daytime was possibly due to prolonged excess emission of iodocarbons from the sea surface after the tsunami, which resulted in enhanced inorganic iodine (Ix) concentration, leading tomassive destruction of O3. Similarly, unusually high O3 levels during the night-time were possibly due to the intrusion of ozone-rich air after the tsunami from the free troposphere into the surface layer when the boundary layer height shrinks after midnight. The present work can be extended on a regional scale by incorporating modelling studies using recent remote sensing tools. © 2011 Taylor & Francis.


Debaje S.B.,Indian Institute of Tropical Meteorology | Kakade A.D.,Commerce and Science College | Johnson Jeyakumar S.,Tbml College
Journal of Hazardous Materials | Year: 2010

Measurement of surface ozone (O3) mixing ratio was made from January 2006 to December 2007 in Ahmednagar (19.1°N, 74.8°E, 657m above sea level), India. The monthly average of daytime maximum of O3 mixing ratio ranged from 14 to 57 parts per billion by volume (ppbv) with an annual average of about 20ppbv. The estimated winter wheat and summer crop yield reduction by 10% and 15%, respectively from present O3 pollution level associated with AOT40 (accumulation exposure of O3 concentration over a threshold of 40ppbv) index values 7370-9150ppbvh in rural areas. © Elsevier B.V.


Govindarajan M.,MGGA College | Ganasan K.,Tbml College | Periandy S.,Tagore Arts College | Karabacak M.,Afyon Kocatepe University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

In this work, FT-IR and FT-Raman spectra of 1-methoxynapthalene (C 11H10O) have been reported in the regions 4000-400 cm -1 and 3500-100 cm-1, respectively. Density functional method (DFT) has been used to calculate the optimized geometrical parameters, atomic charges, vibrational wavenumbers and intensity of the vibrational bands. The vibrational frequencies have been calculated and scaled values are compared with experimental FT-IR and FT-Raman spectra. The structure optimizations and normal coordinate force field calculations are based on density functional theory (DFT) method with B3LYP/3-21G, B3LYP/6-31G, B3LYP/6-31G(d,p) and B3LYP/6-311++G(d,p) basis sets. The complete vibrational assignments of wavenumbers are made on the basis of potential energy distribution (PED). The optimized geometric parameters are compared with experimental values of naphthoic acid. The results of the calculation shows excellent agreement between experimental and calculated frequencies in B3LYP/6-311++G(d,p) basis set. The effects due to the substitutions of methyl group and carbon-oxygen bond are also investigated. A study on the electronic properties, such as excitation energies and wavelengths, were performed by time-dependent DFT (TD-DFT) approach. HOMO and LUMO energies are calculated that these energies show charge transfer occurs within the molecule. © 2011 Elsevier B.V. All rights reserved.


Antony Joseph A.,St. Joseph's College | John David Ebenezar I.,TBML College | Ramachandra Raja C.,Government Arts College Autonomous
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

Nonlinear optics is a fascinating field, which plays a vital role in the emerging field of photonics and optoelectronics. A new nonlinear optical crystal of glycine mixed l-valine picrate (GVP) have been grown from saturated aqueous solution by slow evaporation method at a temperature of 36 °C using a constant temperature bath of accuracy of ±0.01 °C. The synthesized organic optical material has been purified by repeated recrystallization. Single crystal X-ray diffraction analysis has been made to determine the cell parameters and it confirms the crystal lattice to be orthorhombic. UV-vis-NIR spectrum have recorded for GVP crystals in the range from 190 nm to 1100 nm and it is found that the crystal has cut-off at 450 nm. Fourier transform infrared transmission has confirmed the presence of the functional group present in the title compound. The spectrum has been recorded by KBr pellet technique. The 1H and 13C NMR spectra have been recorded to elucidate the molecular structure of GVP crystals. The second harmonic generation (SHG) of the grown crystal have been confirmed by Kurtz-Perry method using Nd:YAG laser as source. © 2011 Elsevier B.V. All rights reserved.


Antony Joseph A.,St. Joseph's College | John David Ebenezar I.,TBML College | Ramachandra Raja C.,Government Arts College Autonomous
Optik | Year: 2012

Organic nonlinear optical material, L-valinium picrate (LVP) was synthesized by slow evaporation solution growth method. The synthesized material was purified by repeated recrystallization. Single crystals of LVP were grown by slow evaporation method using water as solvent. The cell dimensions were obtained by X-ray diffraction study and crystal system was confirmed as monoclinic. The transmission spectrum of LVP was recorded by UV-Vis-NIR spectrometer in the range between 190 nm and 1100 nm which addressed the high percentage of transmission of the sample in the entire visible region. The presence of functional groups was studied by FT-IR analysis. The chemical environment of carbon and hydrogen in the proposed structure of LVP crystal was confirmed by FT NMR studies. The Kurtz-Perry powder SHG measurement was confirmed the frequency doubling of the crystal. © 2011 Elsevier GmbH. All rights reserved.


Raj A.P.,Government of Tamilnadu | Ebenezar I.J.D.,TBML College | Raja C.R.,Government of Tamilnadu
Optik | Year: 2013

l-Threonine is an important amino acid and famous due to their property of frequency conversion and electro optic modulation. Single crystals of magnesium sulphate admixtured l-Threonine was grown by slow evaporation technique. Good quality single crystal with dimension 58 × 5 × 10 mm3 was harvested after 60 days. The powder X-ray diffraction pattern of the grown crystal has been indexed. The optical transmission spectrum shows that the magnesium sulphate admixtured l-Threonine possess good optical transparency in the entire visible region with Ultra Violet cut-off wavelength at 250 nm. The presence of fundamental functional groups was identified by Fourier Transform Infra Red spectral analysis. The structure of the grown crystal was established using Fourier Transform-Nuclear Magnetic Resonance spectral analysis. The thermal behaviour of the crystal has been discussed by Thermal Gravimetric Analysis and Differential Thermal Analysis. Magnesium sulphate admixtured l-Threonine was characterized by Energy dispersive analysis of X-ray. The second harmonic generation efficiency of magnesium sulphate admixtured l-Threonine crystal is found to be same as that of potassium dihydrogen phosphate crystal. © 2013 Elsevier GmbH. All rights reserved.


Aadhityan A.,TBML College
ICIIECS 2015 - 2015 IEEE International Conference on Innovations in Information, Embedded and Communication Systems | Year: 2015

This paper describe about a new methodology to implement Artificial Intelligence, Cloud and Internet of Things in Robots. Now a days, Artificial Intelligence take a main part in the world into robotics. Almost all industries use robots for various works. They were using co-operative robots to make different kind of works. But there was some problem to make robot for multi tasks. So there is a need to create new methodology to made multi tasking robots. It will be done only by artificial intelligence and internet of things. Also connected to cloud can reduce cost. This paper describe the process to make a robot in a simplified manner. © 2015 IEEE.

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