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Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Senthilkumari S.,Kanchi Mamunivar Center for Post Graduate Studies | Ravindran P.,Mahatma Gandhi Government Arts College | Mohan S.,University of the Humanities
Journal of Molecular Structure | Year: 2014

The FTIR and FT-Raman vibrational spectra of N-(4-bromophenyl)-2,2- dichloroacetamide molecule has been recorded and analysed the complete vibrational fundamental modes of the most stable geometry of the compound using the experimental FTIR and FT-Raman data on the basis of peak positions, relative intensities and quantum chemical studies. The observed vibrational frequencies were compared with the theoretical wavenumbers of the optimised geometry of the compound obtained from the DFT-B3LYP gradient calculations employing the high level 6-311++G** and cc-pVTZ basis sets. The effect of substituent Br in the amide moiety have been analysed and compared. The kinetic and thermodynamic stability and chemical reactivity descriptors of the molecule have been determined. The reactive centres are found from the molecular electrostatic potential and the atomic charges. The limits of electrostatic potential are -9.617e × 10-3 and +9.617e × 10 -3. The molecule has great electronegativity difference, charge is very polarized, and there are significant differences in electron density in different regions of the molecule. The lone pair donor orbital, nN → π* CO interaction possess a strong stabilisation of 64.21 kcal mol-1. © 2014 Elsevier B.V. All rights reserved. Source


Kumar E.G.,Mahatma Gandhi Government Arts College | Harilal C.C.,University of Calicut
Indian Journal of Ecology | Year: 2014

Kerala is one among the few Indian States which took initiation in the area of land reforms in early years. The reforms brought about considerable change in socio-economic status of the local inhabitants. This article attempts to analyze the evolution of various land reforms implemented in the state from 1956 to 2012. This article also seeks to examine the changes in the agricultural scenario in addition to the socioeconomic and cultural changes brought by such reforms in the state. Attempts were also carried out to critically evaluate the inadequacies associated with the reforms and scope for its modification. Source


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Thillai Govindaraja S.,Bharathiar University | Ravindran P.,Mahatma Gandhi Government Arts College | Mohan S.,University of the Humanities
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2014

The complete vibrational assignment and analysis of N-carbethoxyphthalimide were carried out using the experimental FTIR and FT-Raman data in the range 4000-450 and 4000-100 cm-1, respectively along with quantum chemical studies of the compound using DFT-B3LYP gradient calculations employing the 6-31G**, 6-311++G** and cc-pVDZ basis sets. The 1H (400 MHz; CDCl3) and 13C (100 MHz; CDCl3) nuclear magnetic resonance (NMR) spectra were also recorded. Due to the partial ionic nature of the carbonyl group, the carbon atoms C1 and C3 in NCEP show downfield effect and the corresponding observed chemical shift of both are observed at 163.76 ppm and the carbon atom C16 in the carbethoxy group also give signal in the downfield at 148.45 ppm. The active sites are determined by molecular electrostatic potential. The possible electronic transitions are determined by HOMO and LUMO orbital shapes and their energies. The structure-chemical reactivity relations of the compound were determined through chemical potential, global hardness, global softness, electronegativity, electrophilicity and local reactivity descriptors by conceptual DFT methods. © 2013 Elsevier B.V. All rights reserved. Source


Senthilarasu G.,Macsagharkar Research Institute | Kumaresan V.,Mahatma Gandhi Government Arts College | Singh S.K.,Macsagharkar Research Institute
Mycotaxon | Year: 2010

A new species, Entoloma vittalii (sect. Cyanula, subg. Leptonia, Entolomataceae), collected from paleotropical regions of the Uppangala forest, Western Ghats, Karnataka, is described and illustrated. Macro- and microscopic differences and similarities are compared with closely related taxa. © 2010. Mycotaxon, Ltd. Source


Senthilarasu G.,MACS Agharkar Research Institute | Kumaresan V.,Mahatma Gandhi Government Arts College | Singh S.K.,MACS Agharkar Research Institute
Mycotaxon | Year: 2010

A new species Hygrocybe manadukaensis, in section Firmae collected from the Uppangala forest of Western Ghats of Karnataka, India is described and illustrated. Both macro- and microscopical features of the present collection are compared with similar or closely related taxa in section Firmae. © 2010. Mycotaxon, Ltd. Source

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